(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide

C23H21Cl2N3O3S — CID 1263901

IUPAC(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl2N3O3S/c24-20-8-7-19(15-21(20)25)32(30,31)28-13-1-2-22(28)23(29)27-18-5-3-16(4-6-18)14-17-9-11-26-12-10-17/h3-12,15,22H,1-2,13-14H2,(H,27,29)/t22-/m1/s1
InChIKeyXHWPKFFUZQLBBR-JOCHJYFZSA-N
MW490.41 g/mol
LogP4.77
Rot. Bonds6

About (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 1263901) has the molecular formula C23H21Cl2N3O3S and a molecular weight of 490.41 g/mol. Its IUPAC name is (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID1263901
Molecular FormulaC23H21Cl2N3O3S
Molecular Weight490.41 g/mol
Exact Mass489.07
IUPAC Name(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl2N3O3S/c24-20-8-7-19(15-21(20)25)32(30,31)28-13-1-2-22(28)23(29)27-18-5-3-16(4-6-18)14-17-9-11-26-12-10-17/h3-12,15,22H,1-2,13-14H2,(H,27,29)/t22-/m1/s1
InChIKeyXHWPKFFUZQLBBR-JOCHJYFZSA-N
XLogP4.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]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

1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46529104
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 42956538
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24619763
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide (CID 1263901) is (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XHWPKFFUZQLBBR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3S/c24-20-8-7-19(15-21(20)25)32(30,31)28-13-1-2-22(28)23(29)27-18-5-3-16(4-6-18)14-17-9-11-26-12-10-17/h3-12,15,22H,1-2,13-14H2,(H,27,29)/t22-/m1/s1.
What are the key properties of (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 490.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 1263901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).