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1576-47-2 molecular structure
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naphthalene-2-sulfonamide

ChemBase ID: 141954
Molecular Formular: C10H9NO2S
Molecular Mass: 207.24896
Monoisotopic Mass: 207.03539953
SMILES and InChIs

SMILES:
c1ccc2cc(ccc2c1)S(=O)(=O)N
Canonical SMILES:
NS(=O)(=O)c1ccc2c(c1)cccc2
InChI:
InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)
InChIKey:
SWBLLSQMOMPTMC-UHFFFAOYSA-N

Cite this record

CBID:141954 http://www.chembase.cn/molecule-141954.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-2-sulfonamide
IUPAC Traditional name
2naphthylsulfonamide
Synonyms
Naphthalene-2-sulfonamide
萘-2-磺酰胺
CAS Number
1576-47-2
MDL Number
MFCD00051931
Beilstein Number
1955730
PubChem SID
24882600
162236186
PubChem CID
232997

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 232997 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.128931  H Acceptors
H Donor LogD (pH = 5.5) 1.5687443 
LogD (pH = 7.4) 1.5680358  Log P 1.5687534 
Molar Refractivity 54.6661 cm3 Polarizability 23.106716 Å3
Polar Surface Area 60.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
215-219 °C(lit.) expand Show data source
215-222°C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C10H9NO2S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 634077 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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