(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C18H19ClN2O3S — CID 2312259

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-4-8-15(9-5-13)20-18(22)17-3-2-12-21(17)25(23,24)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyALBCXQVGURIAIN-KRWDZBQOSA-N
MW378.88 g/mol
LogP3.44
Rot. Bonds4

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

(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 2312259) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID2312259
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-4-8-15(9-5-13)20-18(22)17-3-2-12-21(17)25(23,24)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyALBCXQVGURIAIN-KRWDZBQOSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 2312259) is (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ALBCXQVGURIAIN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-4-8-15(9-5-13)20-18(22)17-3-2-12-21(17)25(23,24)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2312259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).