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

C11H10BrNO2S2 — CID 110604781

IUPACN-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H10BrNO2S2/c1-8-5-9(12)7-10(6-8)13-17(14,15)11-3-2-4-16-11/h2-7,13H,1H3
InChIKeyGCIVEYWNOKJMFT-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.62
Rot. Bonds3

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

N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide (PubChem CID 110604781) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
PubChem CID110604781
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC NameN-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H10BrNO2S2/c1-8-5-9(12)7-10(6-8)13-17(14,15)11-3-2-4-16-11/h2-7,13H,1H3
InChIKeyGCIVEYWNOKJMFT-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538
2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16773980

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide (CID 110604781) is N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is GCIVEYWNOKJMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-8-5-9(12)7-10(6-8)13-17(14,15)11-3-2-4-16-11/h2-7,13H,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide?
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 332.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110604781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).