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

C17H17ClN2O3S — CID 1487038

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-13-8-10-15(11-9-13)24(22,23)20-12-4-7-16(20)17(21)19-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,21)/t16-/m0/s1
InChIKeyBOSUECYHWISGIL-INIZCTEOSA-N
MW364.85 g/mol
LogP3.13
Rot. Bonds4

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

(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 1487038) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID1487038
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-13-8-10-15(11-9-13)24(22,23)20-12-4-7-16(20)17(21)19-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,21)/t16-/m0/s1
InChIKeyBOSUECYHWISGIL-INIZCTEOSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
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
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
2-[(4-chlorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698808
N-(3,4-difluorophenyl)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide
CID 2768773
5-[(4-chlorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814938
5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 2814944
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N,N-diethyl-acetamide
CID 3139007

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide (CID 1487038) is (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is BOSUECYHWISGIL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-13-8-10-15(11-9-13)24(22,23)20-12-4-7-16(20)17(21)19-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 1487038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).