3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H14BrNO2S2 — CID 47158478

IUPAC3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Br)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H14BrNO2S2/c15-11-3-1-5-14(9-11)20(17,18)16(12-6-7-12)10-13-4-2-8-19-13/h1-5,8-9,12H,6-7,10H2
InChIKeyAFQPKDPBWUBKEC-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.86
Rot. Bonds5

About 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 47158478) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID47158478
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Br)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H14BrNO2S2/c15-11-3-1-5-14(9-11)20(17,18)16(12-6-7-12)10-13-4-2-8-19-13/h1-5,8-9,12H,6-7,10H2
InChIKeyAFQPKDPBWUBKEC-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610883
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65207195
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3-nitrobenzenesulfonamide
CID 112820147
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
1-acetyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 55598121

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 47158478) is 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(Br)c1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AFQPKDPBWUBKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c15-11-3-1-5-14(9-11)20(17,18)16(12-6-7-12)10-13-4-2-8-19-13/h1-5,8-9,12H,6-7,10H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 372.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47158478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).