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

C18H19ClN2O4S — CID 1084866

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-7-3-2-5-15(17)20-18(22)16-6-4-12-21(16)26(23,24)14-10-8-13(19)9-11-14/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyPIHCOUNEIQIOLH-INIZCTEOSA-N
MW394.88 g/mol
LogP3.14
Rot. Bonds5

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

(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 1084866) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID1084866
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-7-3-2-5-15(17)20-18(22)16-6-4-12-21(16)26(23,24)14-10-8-13(19)9-11-14/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyPIHCOUNEIQIOLH-INIZCTEOSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide (CID 1084866) is (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is PIHCOUNEIQIOLH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-17-7-3-2-5-15(17)20-18(22)16-6-4-12-21(16)26(23,24)14-10-8-13(19)9-11-14/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 1084866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).