4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C23H20F3N3O5S2 — CID 99957298

IUPAC4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H20F3N3O5S2/c24-23(25,26)16-3-1-4-18(15-16)28-36(33,34)20-10-6-17(7-11-20)27-35(31,32)21-12-8-19(9-13-21)29-14-2-5-22(29)30/h1,3-4,6-13,15,27-28H,2,5,14H2
InChIKeySPSXVGLHHHIJFZ-UHFFFAOYSA-N
MW539.56 g/mol
LogP4.43
Rot. Bonds7

About 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 99957298) has the molecular formula C23H20F3N3O5S2 and a molecular weight of 539.56 g/mol. Its IUPAC name is 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID99957298
Molecular FormulaC23H20F3N3O5S2
Molecular Weight539.56 g/mol
Exact Mass539.08
IUPAC Name4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H20F3N3O5S2/c24-23(25,26)16-3-1-4-18(15-16)28-36(33,34)20-10-6-17(7-11-20)27-35(31,32)21-12-8-19(9-13-21)29-14-2-5-22(29)30/h1,3-4,6-13,15,27-28H,2,5,14H2
InChIKeySPSXVGLHHHIJFZ-UHFFFAOYSA-N
XLogP4.43
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25420136
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46762833
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954228

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 99957298) is 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is SPSXVGLHHHIJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O5S2/c24-23(25,26)16-3-1-4-18(15-16)28-36(33,34)20-10-6-17(7-11-20)27-35(31,32)21-12-8-19(9-13-21)29-14-2-5-22(29)30/h1,3-4,6-13,15,27-28H,2,5,14H2.
What are the key properties of 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 539.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 99957298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).