5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide

C20H23ClN2O4S — CID 60574977

IUPAC5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC2Cc2ccccc2Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O4S/c1-22-28(25,26)19-13-15(9-10-18(19)27-2)20(24)23-11-5-7-16(23)12-14-6-3-4-8-17(14)21/h3-4,6,8-10,13,16,22H,5,7,11-12H2,1-2H3
InChIKeyGYWSMURZDOFGIB-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.10
Rot. Bonds6

About 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide

5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 60574977) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
PubChem CID60574977
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC2Cc2ccccc2Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O4S/c1-22-28(25,26)19-13-15(9-10-18(19)27-2)20(24)23-11-5-7-16(23)12-14-6-3-4-8-17(14)21/h3-4,6,8-10,13,16,22H,5,7,11-12H2,1-2H3
InChIKeyGYWSMURZDOFGIB-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-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

4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 60574866
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974631
[4-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 94840195
2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182379

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide (CID 60574977) is 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCCC2Cc2ccccc2Cl)ccc1OC.
What is the InChIKey of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is GYWSMURZDOFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-22-28(25,26)19-13-15(9-10-18(19)27-2)20(24)23-11-5-7-16(23)12-14-6-3-4-8-17(14)21/h3-4,6,8-10,13,16,22H,5,7,11-12H2,1-2H3.
What are the key properties of 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide?
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 60574977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).