(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

C19H21ClN2O3S — CID 97427307

IUPAC(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-3-6-16(11-14(13)2)21-19(23)22-10-9-18(12-22)26(24,25)17-7-4-15(20)5-8-17/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyJSKLRJBTVDKWEU-GOSISDBHSA-N
MW392.91 g/mol
LogP4.04
Rot. Bonds3

About (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 97427307) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID97427307
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-3-6-16(11-14(13)2)21-19(23)22-10-9-18(12-22)26(24,25)17-7-4-15(20)5-8-17/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyJSKLRJBTVDKWEU-GOSISDBHSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
CID 90589813
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (CID 97427307) is (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C.
What is the InChIKey of (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is JSKLRJBTVDKWEU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-3-6-16(11-14(13)2)21-19(23)22-10-9-18(12-22)26(24,25)17-7-4-15(20)5-8-17/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97427307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).