(2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C24H22ClFN2O3S — CID 66832281

IUPAC(2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(-c2ccc(Cl)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H22ClFN2O3S/c25-20-8-6-18(7-9-20)19-4-1-3-17(15-19)16-27-24(29)23-5-2-14-28(23)32(30,31)22-12-10-21(26)11-13-22/h1,3-4,6-13,15,23H,2,5,14,16H2,(H,27,29)/t23-/m0/s1
InChIKeyWYUKSEXZQZGPDE-QHCPKHFHSA-N
MW472.97 g/mol
LogP4.62
Rot. Bonds6

About (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 66832281) has the molecular formula C24H22ClFN2O3S and a molecular weight of 472.97 g/mol. Its IUPAC name is (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID66832281
Molecular FormulaC24H22ClFN2O3S
Molecular Weight472.97 g/mol
Exact Mass472.10
IUPAC Name(2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(-c2ccc(Cl)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H22ClFN2O3S/c25-20-8-6-18(7-9-20)19-4-1-3-17(15-19)16-27-24(29)23-5-2-14-28(23)32(30,31)22-12-10-21(26)11-13-22/h1,3-4,6-13,15,23H,2,5,14,16H2,(H,27,29)/t23-/m0/s1
InChIKeyWYUKSEXZQZGPDE-QHCPKHFHSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 2967611
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 2-fluoro-benzylamide
CID 18144558
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444049
N-(4-chlorobenzyl)-N~2~-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 1343866
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2300422
1-(4-Chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 4-methyl-benzylamide
CID 3219603
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
CID 4885365
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 24747004
(2S)-N-[(4-chlorophenyl)methyl]-4-methyl-2-(5-methylidene-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazepin-2-yl)pentanamide
CID 24747479
4-chloro-N-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444059
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 44444064

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 66832281) is (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCc1cccc(-c2ccc(Cl)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WYUKSEXZQZGPDE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22ClFN2O3S/c25-20-8-6-18(7-9-20)19-4-1-3-17(15-19)16-27-24(29)23-5-2-14-28(23)32(30,31)22-12-10-21(26)11-13-22/h1,3-4,6-13,15,23H,2,5,14,16H2,(H,27,29)/t23-/m0/s1.
What are the key properties of (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 472.97 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(4-chlorophenyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66832281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).