1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C19H21ClN2O3S — CID 3154061

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-8-10-17(11-9-16)26(24,25)22-14-4-7-18(22)19(23)21-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,23)
InChIKeyQEEKAHKIEQSQQM-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 3154061) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID3154061
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-8-10-17(11-9-16)26(24,25)22-14-4-7-18(22)19(23)21-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,23)
InChIKeyQEEKAHKIEQSQQM-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide
CID 155884494
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71453379
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
CID 71456882
(2R)-2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71456883
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884
(2R)-2-[benzyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71458731
(2R)-2-[[4-(chloromethyl)phenyl]methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71462263
1-N-[(2S)-1-[(2S)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-N-(4-chlorophenyl)sulfonylbenzene-1,4-dicarboxamide
CID 168290746

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 3154061) is 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is QEEKAHKIEQSQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-16-8-10-17(11-9-16)26(24,25)22-14-4-7-18(22)19(23)21-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3154061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).