3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide

C11H10BrNO4S3 — CID 61061972

IUPAC3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C11H10BrNO4S3/c1-19(14,15)9-4-2-8(3-5-9)13-20(16,17)11-10(12)6-7-18-11/h2-7,13H,1H3
InChIKeyBKTHEPHJVWPHDZ-UHFFFAOYSA-N
MW396.31 g/mol
LogP2.71
Rot. Bonds4

About 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide

3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 61061972) has the molecular formula C11H10BrNO4S3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID61061972
Molecular FormulaC11H10BrNO4S3
Molecular Weight396.31 g/mol
Exact Mass394.90
IUPAC Name3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C11H10BrNO4S3/c1-19(14,15)9-4-2-8(3-5-9)13-20(16,17)11-10(12)6-7-18-11/h2-7,13H,1H3
InChIKeyBKTHEPHJVWPHDZ-UHFFFAOYSA-N
XLogP2.71
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904502
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063182
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide (CID 61061972) is 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is BKTHEPHJVWPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4S3/c1-19(14,15)9-4-2-8(3-5-9)13-20(16,17)11-10(12)6-7-18-11/h2-7,13H,1H3.
What are the key properties of 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 396.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61061972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).