(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C17H16ClN3O4S — CID 155516304

IUPAC(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O4S/c18-11-3-1-10(2-4-11)16-14(17(19)23)9-15(22)21(16)12-5-7-13(8-6-12)26(20,24)25/h1-8,14,16H,9H2,(H2,19,23)(H2,20,24,25)/t14-,16+/m0/s1
InChIKeyLJVIXSBCXLHRRM-GOEBONIOSA-N
MW393.85 g/mol
LogP1.57
Rot. Bonds4

About (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 155516304) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID155516304
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O4S/c18-11-3-1-10(2-4-11)16-14(17(19)23)9-15(22)21(16)12-5-7-13(8-6-12)26(20,24)25/h1-8,14,16H,9H2,(H2,19,23)(H2,20,24,25)/t14-,16+/m0/s1
InChIKeyLJVIXSBCXLHRRM-GOEBONIOSA-N
XLogP1.57
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-4-(2,5-dioxo-3-phenyl-1-pyrrolidinyl)benzenesulfonamide
CID 72094
(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155518447
(2S,3S)-2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155538083
(2S,3S)-2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155542691
2-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 155552113
2-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]ethyl acetate
CID 155555084
3-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 155563623
(2S,3S)-2-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155564664
(2S,3S)-2-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566378
(2S,3S)-2-(4-chlorophenyl)-5-oxo-N-(3-pyrrolidin-1-ylpropyl)-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566755
methyl 3-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 155569151
2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
CID 2973406

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 155516304) is (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is NC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LJVIXSBCXLHRRM-GOEBONIOSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-11-3-1-10(2-4-11)16-14(17(19)23)9-15(22)21(16)12-5-7-13(8-6-12)26(20,24)25/h1-8,14,16H,9H2,(H2,19,23)(H2,20,24,25)/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155516304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).