N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide

C15H11F3N2O4S — CID 25484304

IUPACN-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1NCc2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c21
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)24-10-4-2-5-11(7-10)25(22,23)20-12-6-1-3-9-8-19-14(21)13(9)12/h1-7,20H,8H2,(H,19,21)
InChIKeySRAJOTQXWQJWGB-UHFFFAOYSA-N
MW372.32 g/mol
LogP2.63
Rot. Bonds4

About N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide

N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 25484304) has the molecular formula C15H11F3N2O4S and a molecular weight of 372.32 g/mol. Its IUPAC name is N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID25484304
Molecular FormulaC15H11F3N2O4S
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC NameN-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1NCc2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c21
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)24-10-4-2-5-11(7-10)25(22,23)20-12-6-1-3-9-8-19-14(21)13(9)12/h1-7,20H,8H2,(H,19,21)
InChIKeySRAJOTQXWQJWGB-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 135379015
N-[2-[(3,4,5-trichloroanilino)methyl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 171344003
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide (CID 25484304) is N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide is O=C1NCc2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c21.
What is the InChIKey of N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SRAJOTQXWQJWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S/c16-15(17,18)24-10-4-2-5-11(7-10)25(22,23)20-12-6-1-3-9-8-19-14(21)13(9)12/h1-7,20H,8H2,(H,19,21).
What are the key properties of N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 25484304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).