2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide

C13H17BrN2O3S — CID 1296266

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C13H17BrN2O3S/c14-10-5-7-12(8-6-10)20(18,19)15-9-13(17)16-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2,(H,16,17)
InChIKeyGZJHVLGALLRCGC-UHFFFAOYSA-N
MW361.26 g/mol
LogP1.79
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide

2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide (PubChem CID 1296266) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide
PubChem CID1296266
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C13H17BrN2O3S/c14-10-5-7-12(8-6-10)20(18,19)15-9-13(17)16-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2,(H,16,17)
InChIKeyGZJHVLGALLRCGC-UHFFFAOYSA-N
XLogP1.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N~2~-ethyl-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2985558
4-((3-Bromophenyl)sulfonyl)piperazin-2-one
CID 7509967
3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
CID 4576617
1-(4-Bromophenyl)sulfonyl-1,4-diazepan-5-one
CID 1535370
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-ethyl-N-methylglycinamide
CID 2243369
2-(4-Bromo-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 3157969
3-(4-Bromobenzenesulfonamido)-N-butylpropanamide
CID 4138424
N~3~-[(4-bromophenyl)sulfonyl]-N~1~-[3-(dipropylamino)propyl]-beta-alaninamide
CID 9550268
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 44570922
(R)-4-acetamido-2-(4-bromophenylsulfonamido)-N-hydroxybutanamide
CID 45378250
(2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxamide
CID 127039715
2-(benzenesulfonamido)-N-cyclopentylpropanamide
CID 2957593

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide (CID 1296266) is 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide?
The InChIKey is GZJHVLGALLRCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c14-10-5-7-12(8-6-10)20(18,19)15-9-13(17)16-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2,(H,16,17).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide?
2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide has a molecular weight of 361.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 1296266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).