5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide

C11H9BrFNO2S2 — CID 8501268

IUPAC5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1F
InChIInChI=1S/C11H9BrFNO2S2/c1-7-2-3-8(6-9(7)13)14-18(15,16)11-5-4-10(12)17-11/h2-6,14H,1H3
InChIKeyGHNDZVWGBGXQOS-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide

5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 8501268) has the molecular formula C11H9BrFNO2S2 and a molecular weight of 350.23 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
PubChem CID8501268
Molecular FormulaC11H9BrFNO2S2
Molecular Weight350.23 g/mol
Exact Mass348.92
IUPAC Name5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1F
InChIInChI=1S/C11H9BrFNO2S2/c1-7-2-3-8(6-9(7)13)14-18(15,16)11-5-4-10(12)17-11/h2-6,14H,1H3
InChIKeyGHNDZVWGBGXQOS-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
5-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide (CID 8501268) is 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1F.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is GHNDZVWGBGXQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2S2/c1-7-2-3-8(6-9(7)13)14-18(15,16)11-5-4-10(12)17-11/h2-6,14H,1H3.
What are the key properties of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 350.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 8501268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).