2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide

C18H24ClFN2O3S — CID 131924432

IUPAC2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CC(=O)N(C3CCCC3)C2)c(Cl)cc1F
InChIInChI=1S/C18H24ClFN2O3S/c1-12-7-17(15(19)9-16(12)20)26(24,25)21(2)10-13-8-18(23)22(11-13)14-5-3-4-6-14/h7,9,13-14H,3-6,8,10-11H2,1-2H3
InChIKeyKFUMBHFNZMHWIW-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.20
Rot. Bonds5

About 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide

2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide (PubChem CID 131924432) has the molecular formula C18H24ClFN2O3S and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
PubChem CID131924432
Molecular FormulaC18H24ClFN2O3S
Molecular Weight402.92 g/mol
Exact Mass402.12
IUPAC Name2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CC(=O)N(C3CCCC3)C2)c(Cl)cc1F
InChIInChI=1S/C18H24ClFN2O3S/c1-12-7-17(15(19)9-16(12)20)26(24,25)21(2)10-13-8-18(23)22(11-13)14-5-3-4-6-14/h7,9,13-14H,3-6,8,10-11H2,1-2H3
InChIKeyKFUMBHFNZMHWIW-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 131926041
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-methoxy-N-methylbenzenesulfonamide
CID 131890870
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
5-amino-2-chloro-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63727471
4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 50968396
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 163314892
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide (CID 131924432) is 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CC(=O)N(C3CCCC3)C2)c(Cl)cc1F.
What is the InChIKey of 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide?
The InChIKey is KFUMBHFNZMHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O3S/c1-12-7-17(15(19)9-16(12)20)26(24,25)21(2)10-13-8-18(23)22(11-13)14-5-3-4-6-14/h7,9,13-14H,3-6,8,10-11H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide?
2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide has a molecular weight of 402.92 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 131924432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).