3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide

C11H10BrNO2S3 — CID 61063599

IUPAC3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C11H10BrNO2S3/c1-16-9-4-2-3-8(7-9)13-18(14,15)11-10(12)5-6-17-11/h2-7,13H,1H3
InChIKeyKGYLSOSCURMZSV-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.03
Rot. Bonds4

About 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide

3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide (PubChem CID 61063599) has the molecular formula C11H10BrNO2S3 and a molecular weight of 364.31 g/mol. Its IUPAC name is 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
PubChem CID61063599
Molecular FormulaC11H10BrNO2S3
Molecular Weight364.31 g/mol
Exact Mass362.91
IUPAC Name3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C11H10BrNO2S3/c1-16-9-4-2-3-8(7-9)13-18(14,15)11-10(12)5-6-17-11/h2-7,13H,1H3
InChIKeyKGYLSOSCURMZSV-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 61458006
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 80578749
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
CID 61456011
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide (CID 61063599) is 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide is CSc1cccc(NS(=O)(=O)c2sccc2Br)c1.
What is the InChIKey of 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
The InChIKey is KGYLSOSCURMZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S3/c1-16-9-4-2-3-8(7-9)13-18(14,15)11-10(12)5-6-17-11/h2-7,13H,1H3.
What are the key properties of 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide has a molecular weight of 364.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61063599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).