(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C19H20ClN3O4S — CID 41173473

IUPAC(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClN3O4S/c1-21-18(24)13-4-2-5-15(12-13)22-19(25)17-6-3-11-23(17)28(26,27)16-9-7-14(20)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyQIKDKVLYGBLVMM-QGZVFWFLSA-N
MW421.91 g/mol
LogP2.49
Rot. Bonds5

About (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 41173473) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID41173473
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClN3O4S/c1-21-18(24)13-4-2-5-15(12-13)22-19(25)17-6-3-11-23(17)28(26,27)16-9-7-14(20)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyQIKDKVLYGBLVMM-QGZVFWFLSA-N
XLogP2.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
(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
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
3-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 108789701
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 1143211
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 41173473) is (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CNC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QIKDKVLYGBLVMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-21-18(24)13-4-2-5-15(12-13)22-19(25)17-6-3-11-23(17)28(26,27)16-9-7-14(20)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 41173473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).