2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide

C16H22ClFN2O3S — CID 154863576

IUPAC2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)NCC1CCCC1
InChIInChI=1S/C16H22ClFN2O3S/c1-16(2,15(21)19-10-11-5-3-4-6-11)20-24(22,23)14-8-7-12(17)9-13(14)18/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyPYVPRFJMFKCOSS-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.84
Rot. Bonds6

About 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide

2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide (PubChem CID 154863576) has the molecular formula C16H22ClFN2O3S and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide
PubChem CID154863576
Molecular FormulaC16H22ClFN2O3S
Molecular Weight376.88 g/mol
Exact Mass376.10
IUPAC Name2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)NCC1CCCC1
InChIInChI=1S/C16H22ClFN2O3S/c1-16(2,15(21)19-10-11-5-3-4-6-11)20-24(22,23)14-8-7-12(17)9-13(14)18/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyPYVPRFJMFKCOSS-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-[(2,5-difluorophenyl)sulfonylamino]-2-methylpropanamide
CID 154863575
N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide
CID 154872443
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
CID 63888195
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119981346
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
4-chloro-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8794996
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid
CID 43341778

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide (CID 154863576) is 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)NCC1CCCC1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide?
The InChIKey is PYVPRFJMFKCOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3S/c1-16(2,15(21)19-10-11-5-3-4-6-11)20-24(22,23)14-8-7-12(17)9-13(14)18/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide?
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide has a molecular weight of 376.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide is sourced from PubChem (CID 154863576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).