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

C14H16BrNO2S2 — CID 61068595

IUPAC3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccccc1CC(C)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C14H16BrNO2S2/c1-10-5-3-4-6-12(10)9-11(2)16-20(17,18)14-13(15)7-8-19-14/h3-8,11,16H,9H2,1-2H3
InChIKeyUTVBWSFXIVJTNO-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.73
Rot. Bonds5

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

3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide (PubChem CID 61068595) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
PubChem CID61068595
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccccc1CC(C)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C14H16BrNO2S2/c1-10-5-3-4-6-12(10)9-11(2)16-20(17,18)14-13(15)7-8-19-14/h3-8,11,16H,9H2,1-2H3
InChIKeyUTVBWSFXIVJTNO-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61072943
N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
CID 47372753
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide
CID 61068609
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
CID 82715135
N-[(3-amino-2-methylphenyl)methyl]-3-bromothiophene-2-sulfonamide
CID 103110455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide (CID 61068595) is 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide is Cc1ccccc1CC(C)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is UTVBWSFXIVJTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-10-5-3-4-6-12(10)9-11(2)16-20(17,18)14-13(15)7-8-19-14/h3-8,11,16H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide?
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 374.33 g/mol, XLogP of 3.73, 5 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)propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 61068595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).