4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide

C23H24ClN3O3S — CID 118576308

IUPAC4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(-c2ccc(S(N)(=O)=O)cc2)n(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-15-20(23(28)27-13-3-4-14-27)22(17-7-11-19(12-8-17)31(25,29)30)26(2)21(15)16-5-9-18(24)10-6-16/h5-12H,3-4,13-14H2,1-2H3,(H2,25,29,30)
InChIKeyVXRFBIOBPBVCOL-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.20
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide (PubChem CID 118576308) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide
PubChem CID118576308
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(-c2ccc(S(N)(=O)=O)cc2)n(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-15-20(23(28)27-13-3-4-14-27)22(17-7-11-19(12-8-17)31(25,29)30)26(2)21(15)16-5-9-18(24)10-6-16/h5-12H,3-4,13-14H2,1-2H3,(H2,25,29,30)
InChIKeyVXRFBIOBPBVCOL-UHFFFAOYSA-N
XLogP4.20
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
CID 10273200
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
CID 173202302
4-[4-(4-chloro-3-methylphenyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 71736681
2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
CID 162654790
methyl 4-chloro-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 10717305
5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894219
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 28805977
2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65376100
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 41079088
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide (CID 118576308) is 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide is Cc1c(C(=O)N2CCCC2)c(-c2ccc(S(N)(=O)=O)cc2)n(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide?
The InChIKey is VXRFBIOBPBVCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-15-20(23(28)27-13-3-4-14-27)22(17-7-11-19(12-8-17)31(25,29)30)26(2)21(15)16-5-9-18(24)10-6-16/h5-12H,3-4,13-14H2,1-2H3,(H2,25,29,30).
What are the key properties of 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide has a molecular weight of 457.98 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide is sourced from PubChem (CID 118576308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).