1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide

C20H23ClN2O4S — CID 132667017

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14(2)27-17-9-7-16(8-10-17)22-20(24)19-4-3-13-23(19)28(25,26)18-11-5-15(21)6-12-18/h5-12,14,19H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyWVWSHLJBTCJKPU-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.92
Rot. Bonds6

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

1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 132667017) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID132667017
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14(2)27-17-9-7-16(8-10-17)22-20(24)19-4-3-13-23(19)28(25,26)18-11-5-15(21)6-12-18/h5-12,14,19H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyWVWSHLJBTCJKPU-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 20846122
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
ethyl 4-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidine-2-carbonyl]amino]benzoate
CID 92887700
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide (CID 132667017) is 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is WVWSHLJBTCJKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14(2)27-17-9-7-16(8-10-17)22-20(24)19-4-3-13-23(19)28(25,26)18-11-5-15(21)6-12-18/h5-12,14,19H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 3.92, 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-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 132667017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).