1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

C23H20Cl2N2O3S — CID 42702705

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl2N2O3S/c24-17-12-13-19(25)22(15-17)31(29,30)27-14-6-11-21(27)23(28)26-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,21H,6,11,14H2,(H,26,28)
InChIKeyYOSWJKZEMADOQI-UHFFFAOYSA-N
MW475.40 g/mol
LogP5.45
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (PubChem CID 42702705) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
PubChem CID42702705
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl2N2O3S/c24-17-12-13-19(25)22(15-17)31(29,30)27-14-6-11-21(27)23(28)26-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,21H,6,11,14H2,(H,26,28)
InChIKeyYOSWJKZEMADOQI-UHFFFAOYSA-N
XLogP5.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702704
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 2992639
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372074
(2R,3R)-1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105470
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
[(2S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-diphenylmethanol
CID 100992317
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127843
(2R)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40878885
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (CID 42702705) is 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1-c1ccccc1)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YOSWJKZEMADOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c24-17-12-13-19(25)22(15-17)31(29,30)27-14-6-11-21(27)23(28)26-20-10-5-4-9-18(20)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,21H,6,11,14H2,(H,26,28).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 475.40 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42702705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).