(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide

C14H19BrN2O3S — CID 40746707

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19BrN2O3S/c1-10(14(18)16-12-4-2-3-5-12)17-21(19,20)13-8-6-11(15)7-9-13/h6-10,12,17H,2-5H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyXDHLEHMPQCKDAS-JTQLQIEISA-N
MW375.29 g/mol
LogP2.17
Rot. Bonds5

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide (PubChem CID 40746707) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
PubChem CID40746707
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19BrN2O3S/c1-10(14(18)16-12-4-2-3-5-12)17-21(19,20)13-8-6-11(15)7-9-13/h6-10,12,17H,2-5H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyXDHLEHMPQCKDAS-JTQLQIEISA-N
XLogP2.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide (CID 40746707) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide is C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide?
The InChIKey is XDHLEHMPQCKDAS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-10(14(18)16-12-4-2-3-5-12)17-21(19,20)13-8-6-11(15)7-9-13/h6-10,12,17H,2-5H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide has a molecular weight of 375.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 40746707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).