1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide

C18H19ClN2O3S — CID 4230442

IUPAC1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c1-20(15-6-3-2-4-7-15)18(22)17-8-5-13-21(17)25(23,24)16-11-9-14(19)10-12-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyRJPIIFBYAUWWHD-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 4230442) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID4230442
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c1-20(15-6-3-2-4-7-15)18(22)17-8-5-13-21(17)25(23,24)16-11-9-14(19)10-12-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyRJPIIFBYAUWWHD-UHFFFAOYSA-N
XLogP3.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
3-(4-Chloro-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 9798519
1-(4-Chlorophenyl)-3-(4-chlorophenyl)sulfonylimidazolidine-2,4-dione
CID 9821476
4-chloro-N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (non-preferred name)
CID 1301415
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
(1-((4-Chlorophenyl)sulfonyl)pyrrolidin-2-yl)(2-methylindolin-1-yl)methanone
CID 2998650
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N,N-diethyl-acetamide
CID 3139007
1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 5128943

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide (CID 4230442) is 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide is CN(C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is RJPIIFBYAUWWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-20(15-6-3-2-4-7-15)18(22)17-8-5-13-21(17)25(23,24)16-11-9-14(19)10-12-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4230442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).