(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C19H19Cl2N3O3S — CID 66770653

IUPAC(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.N#Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1
InChIInChI=1S/C19H18ClN3O3S.ClH/c20-16-7-3-4-8-18(16)27(25,26)15-9-17(22-12-15)19(24)23-11-14-6-2-1-5-13(14)10-21;/h1-8,15,17,22H,9,11-12H2,(H,23,24);1H/t15-,17+;/m1./s1
InChIKeySCCAGTHEXFZJKA-KALLACGZSA-N
MW440.35 g/mol
LogP2.45
Rot. Bonds5

About (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 66770653) has the molecular formula C19H19Cl2N3O3S and a molecular weight of 440.35 g/mol. Its IUPAC name is (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID66770653
Molecular FormulaC19H19Cl2N3O3S
Molecular Weight440.35 g/mol
Exact Mass439.05
IUPAC Name(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.N#Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1
InChIInChI=1S/C19H18ClN3O3S.ClH/c20-16-7-3-4-8-18(16)27(25,26)15-9-17(22-12-15)19(24)23-11-14-6-2-1-5-13(14)10-21;/h1-8,15,17,22H,9,11-12H2,(H,23,24);1H/t15-,17+;/m1./s1
InChIKeySCCAGTHEXFZJKA-KALLACGZSA-N
XLogP2.45
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157
[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 69169535
(2R,4S)-4-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133109226
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-(cyanomethyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 59543606
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28514089
(4R)-4-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonyl-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
CID 66771156
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119768236

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 66770653) is (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.N#Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1.
What is the InChIKey of (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SCCAGTHEXFZJKA-KALLACGZSA-N. The full InChI is InChI=1S/C19H18ClN3O3S.ClH/c20-16-7-3-4-8-18(16)27(25,26)15-9-17(22-12-15)19(24)23-11-14-6-2-1-5-13(14)10-21;/h1-8,15,17,22H,9,11-12H2,(H,23,24);1H/t15-,17+;/m1./s1.
What are the key properties of (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 440.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66770653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).