N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C19H21ClN2O3S — CID 2967611

IUPACN-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-7-18(22)19(23)21-13-15-5-2-3-6-17(15)20/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23)
InChIKeyQNMOOALDSGOPOR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2967611) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2967611
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-7-18(22)19(23)21-13-15-5-2-3-6-17(15)20/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23)
InChIKeyQNMOOALDSGOPOR-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2967611) is N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QNMOOALDSGOPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-7-18(22)19(23)21-13-15-5-2-3-6-17(15)20/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2967611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).