(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C19H19ClN6O3S — CID 166203232

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1-n1cnnn1
InChIInChI=1S/C19H19ClN6O3S/c1-13-4-7-15(11-18(13)25-12-21-23-24-25)22-19(27)17-3-2-10-26(17)30(28,29)16-8-5-14(20)6-9-16/h4-9,11-12,17H,2-3,10H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyKXRDWDHIVHVESP-KRWDZBQOSA-N
MW446.92 g/mol
LogP2.42
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 166203232) has the molecular formula C19H19ClN6O3S and a molecular weight of 446.92 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID166203232
Molecular FormulaC19H19ClN6O3S
Molecular Weight446.92 g/mol
Exact Mass446.09
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1-n1cnnn1
InChIInChI=1S/C19H19ClN6O3S/c1-13-4-7-15(11-18(13)25-12-21-23-24-25)22-19(27)17-3-2-10-26(17)30(28,29)16-8-5-14(20)6-9-16/h4-9,11-12,17H,2-3,10H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyKXRDWDHIVHVESP-KRWDZBQOSA-N
XLogP2.42
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)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

(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 41173473
(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956219
ethyl 4-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidine-2-carbonyl]amino]benzoate
CID 92887700
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 55938853

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 166203232) is (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1-n1cnnn1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KXRDWDHIVHVESP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN6O3S/c1-13-4-7-15(11-18(13)25-12-21-23-24-25)22-19(27)17-3-2-10-26(17)30(28,29)16-8-5-14(20)6-9-16/h4-9,11-12,17H,2-3,10H2,1H3,(H,22,27)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 446.92 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166203232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).