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

C18H19ClN2O3S — CID 2320261

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1S(=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/t17-/m0/s1
InChIKeyRJPIIFBYAUWWHD-KRWDZBQOSA-N
MW378.88 g/mol
LogP3.16
Rot. Bonds4

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

(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 2320261) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID2320261
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1S(=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/t17-/m0/s1
InChIKeyRJPIIFBYAUWWHD-KRWDZBQOSA-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

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 51648857
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide
CID 16923748
3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232881
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 6598959
N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 51161111
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 31251791

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide (CID 2320261) is (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is RJPIIFBYAUWWHD-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide?
(2S)-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 (2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2320261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).