3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide

C14H18BrNO3S — CID 4576617

IUPAC3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H18BrNO3S/c15-11-5-7-13(8-6-11)20(18,19)10-9-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17)
InChIKeyLMOHKHQMCVBSRP-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.67
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide

3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide (PubChem CID 4576617) has the molecular formula C14H18BrNO3S and a molecular weight of 360.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
PubChem CID4576617
Molecular FormulaC14H18BrNO3S
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H18BrNO3S/c15-11-5-7-13(8-6-11)20(18,19)10-9-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17)
InChIKeyLMOHKHQMCVBSRP-UHFFFAOYSA-N
XLogP2.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 3240858
3-(4-bromophenyl)sulfonyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]propanamide
CID 9550772
3-[(4-bromophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
CID 27828455
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
CID 2340213
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
N-cyclopentyl-3-(phenylsulfonyl)propanamide
CID 6459253
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16275284
3-[(4-bromophenyl)sulfonyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 3238751
3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide
CID 3261893
3-[(4-bromophenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 3353638
1-(Azepan-1-yl)-3-(4-bromophenyl)sulfonylpropan-1-one
CID 4691630

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide (CID 4576617) is 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide?
The InChIKey is LMOHKHQMCVBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3S/c15-11-5-7-13(8-6-11)20(18,19)10-9-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide?
3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide has a molecular weight of 360.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide is sourced from PubChem (CID 4576617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).