4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

C19H21ClN2O3S — CID 60574602

IUPAC4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-21-26(24,25)17-10-8-14(9-11-17)19(23)22-12-4-6-16(22)13-15-5-2-3-7-18(15)20/h2-3,5,7-11,16,21H,4,6,12-13H2,1H3
InChIKeyXGUVCPVCGUJUHK-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.10
Rot. Bonds5

About 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 60574602) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID60574602
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-21-26(24,25)17-10-8-14(9-11-17)19(23)22-12-4-6-16(22)13-15-5-2-3-7-18(15)20/h2-3,5,7-11,16,21H,4,6,12-13H2,1H3
InChIKeyXGUVCPVCGUJUHK-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide 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

5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 60574653
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 60574866
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355685
4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 86903654
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 24627974
3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182379
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide
CID 119631538
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 60574602) is 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCCC2Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is XGUVCPVCGUJUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-21-26(24,25)17-10-8-14(9-11-17)19(23)22-12-4-6-16(22)13-15-5-2-3-7-18(15)20/h2-3,5,7-11,16,21H,4,6,12-13H2,1H3.
What are the key properties of 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60574602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).