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155731-14-9 molecular structure
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N-tert-butyl-5-chlorothiophene-2-sulfonamide

ChemBase ID: 77051
Molecular Formular: C8H12ClNO2S2
Molecular Mass: 253.76938
Monoisotopic Mass: 252.99979831
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(s1)Cl)NC(C)(C)C
Canonical SMILES:
CC(NS(=O)(=O)c1ccc(s1)Cl)(C)C
InChI:
InChI=1S/C8H12ClNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
InChIKey:
VPZSRWXWBIVADA-UHFFFAOYSA-N

Cite this record

CBID:77051 http://www.chembase.cn/molecule-77051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-tert-butyl-5-chlorothiophene-2-sulfonamide
IUPAC Traditional name
N-tert-butyl-5-chlorothiophene-2-sulfonamide
Synonyms
N-(tert-Butyl)-5-chlorothiophene-2-sulphonamide
CAS Number
155731-14-9
PubChem SID
162041950
PubChem CID
10106323

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR13860 external link Add to cart Please log in.
Data Source Data ID
PubChem 10106323 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.194232  H Acceptors
H Donor LogD (pH = 5.5) 2.5726137 
LogD (pH = 7.4) 2.5165877  Log P 2.573391 
Molar Refractivity 57.1486 cm3 Polarizability 23.698254 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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