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1132940-86-3 molecular structure
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N-(6-bromonaphthalen-2-yl)methanesulfonamide

ChemBase ID: 63729
Molecular Formular: C11H10BrNO2S
Molecular Mass: 300.1716
Monoisotopic Mass: 298.96156157
SMILES and InChIs

SMILES:
CS(=O)(=O)Nc1cc2c(cc(Br)cc2)cc1
Canonical SMILES:
Brc1ccc2c(c1)ccc(c2)NS(=O)(=O)C
InChI:
InChI=1S/C11H10BrNO2S/c1-16(14,15)13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,1H3
InChIKey:
CFCFBYXYRVYAPU-UHFFFAOYSA-N

Cite this record

CBID:63729 http://www.chembase.cn/molecule-63729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(6-bromonaphthalen-2-yl)methanesulfonamide
IUPAC Traditional name
N-(6-bromonaphthalen-2-yl)methanesulfonamide
Synonyms
N-(6-Bromonaphthalen-2-yl)methanesulfonamide
CAS Number
1132940-86-3
MDL Number
MFCD13191640
PubChem SID
162029468
PubChem CID
49758834

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069053 external link Add to cart Please log in.
Data Source Data ID
PubChem 49758834 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.645759  H Acceptors
H Donor LogD (pH = 5.5) 2.1045868 
LogD (pH = 7.4) 2.1024363  Log P 2.1046145 
Molar Refractivity 66.8142 cm3 Polarizability 27.705627 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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