3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide

C13H14BrNO2S2 — CID 61072943

IUPAC3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H14BrNO2S2/c1-9-5-3-4-6-11(9)10(2)15-19(16,17)13-12(14)7-8-18-13/h3-8,10,15H,1-2H3
InChIKeyJRGDJCRDXAJVEM-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.86
Rot. Bonds4

About 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide

3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 61072943) has the molecular formula C13H14BrNO2S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID61072943
Molecular FormulaC13H14BrNO2S2
Molecular Weight360.30 g/mol
Exact Mass358.96
IUPAC Name3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H14BrNO2S2/c1-9-5-3-4-6-11(9)10(2)15-19(16,17)13-12(14)7-8-18-13/h3-8,10,15H,1-2H3
InChIKeyJRGDJCRDXAJVEM-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide
CID 61068609
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
CID 61068595
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
3-bromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-sulfonamide
CID 61073929
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide (CID 61072943) is 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is JRGDJCRDXAJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S2/c1-9-5-3-4-6-11(9)10(2)15-19(16,17)13-12(14)7-8-18-13/h3-8,10,15H,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 360.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61072943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).