(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C19H20Cl2N2O4S — CID 30127843

IUPAC(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-5-7-14(27-2)11-18(12)28(25,26)23-9-3-4-17(23)19(24)22-16-8-6-13(20)10-15(16)21/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyPQBJYBXYLOFEIV-QGZVFWFLSA-N
MW443.35 g/mol
LogP4.10
Rot. Bonds5

About (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 30127843) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID30127843
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-5-7-14(27-2)11-18(12)28(25,26)23-9-3-4-17(23)19(24)22-16-8-6-13(20)10-15(16)21/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyPQBJYBXYLOFEIV-QGZVFWFLSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8927392
(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127867
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 30128117
dimethyl 5-[[1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43888424
1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 43888284
(2S)-N-benzhydryl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128206
1-(4-chlorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 16925178
1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
methyl (2R)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836483

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 30127843) is (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is PQBJYBXYLOFEIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-12-5-7-14(27-2)11-18(12)28(25,26)23-9-3-4-17(23)19(24)22-16-8-6-13(20)10-15(16)21/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 30127843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).