1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C19H21ClN2O4S — CID 3219684

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-16-8-4-14(5-9-16)13-21-19(23)18-3-2-12-22(18)27(24,25)17-10-6-15(20)7-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyMRQRVKMNKJLJLD-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 3219684) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID3219684
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-16-8-4-14(5-9-16)13-21-19(23)18-3-2-12-22(18)27(24,25)17-10-6-15(20)7-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyMRQRVKMNKJLJLD-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-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 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 3219684) is 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MRQRVKMNKJLJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-16-8-4-14(5-9-16)13-21-19(23)18-3-2-12-22(18)27(24,25)17-10-6-15(20)7-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3219684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).