(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

C20H21ClN4O3S — CID 40939662

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H21ClN4O3S/c1-24-17-6-3-2-5-16(17)23-19(24)13-22-20(26)18-7-4-12-25(18)29(27,28)15-10-8-14(21)9-11-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyFCBUQDPLLFTWSY-SFHVURJKSA-N
MW432.93 g/mol
LogP2.70
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 40939662) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID40939662
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H21ClN4O3S/c1-24-17-6-3-2-5-16(17)23-19(24)13-22-20(26)18-7-4-12-25(18)29(27,28)15-10-8-14(21)9-11-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyFCBUQDPLLFTWSY-SFHVURJKSA-N
XLogP2.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide 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)-1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 31251791
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
(2S)-1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40634690
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2S)-1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 92865542

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 40939662) is (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is Cn1c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is FCBUQDPLLFTWSY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-24-17-6-3-2-5-16(17)23-19(24)13-22-20(26)18-7-4-12-25(18)29(27,28)15-10-8-14(21)9-11-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 40939662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).