methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate

C23H23ClN2O5S — CID 67574209

IUPACmethyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1Cc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-14-20(23(28)31-3)19(13-15-5-11-18(12-6-15)25-32(4,29)30)26(2)21(14)22(27)16-7-9-17(24)10-8-16/h5-12,25H,13H2,1-4H3
InChIKeyPMZZVHGMBYPSSF-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.97
Rot. Bonds7

About methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate

methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate (PubChem CID 67574209) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate
PubChem CID67574209
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Namemethyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1Cc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-14-20(23(28)31-3)19(13-15-5-11-18(12-6-15)25-32(4,29)30)26(2)21(14)22(27)16-7-9-17(24)10-8-16/h5-12,25H,13H2,1-4H3
InChIKeyPMZZVHGMBYPSSF-UHFFFAOYSA-N
XLogP3.97
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate 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

N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
N-[4-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide
CID 70103781
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid
CID 13341685
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
CID 70101609
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methanesulfonamido)benzamide
CID 3691237
(4-chlorophenyl)-[5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
CID 15870201
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
N-[4-[2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]methanesulfonamide
CID 43023067

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate (CID 67574209) is methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate is COC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1Cc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate?
The InChIKey is PMZZVHGMBYPSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-14-20(23(28)31-3)19(13-15-5-11-18(12-6-15)25-32(4,29)30)26(2)21(14)22(27)16-7-9-17(24)10-8-16/h5-12,25H,13H2,1-4H3.
What are the key properties of methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate?
methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate has a molecular weight of 474.97 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 67574209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).