4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide

C15H11F3N2O2S — CID 148861191

IUPAC4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)cc1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)11-5-10-7-20-8-14(10)13(6-11)9-1-3-12(4-2-9)23(19,21)22/h1-6,8H,7H2,(H2,19,21,22)
InChIKeyOZJDBFMXJRLPIF-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.95
Rot. Bonds2

About 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide

4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide (PubChem CID 148861191) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide
PubChem CID148861191
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)cc1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)11-5-10-7-20-8-14(10)13(6-11)9-1-3-12(4-2-9)23(19,21)22/h1-6,8H,7H2,(H2,19,21,22)
InChIKeyOZJDBFMXJRLPIF-UHFFFAOYSA-N
XLogP2.95
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
CID 158586532
3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
CID 158480736
4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 16753763
1H-isoindole-5-sulfonamide
CID 154170337
5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161281528
4-[4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917529
[4-methoxy-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 153195814
4-[4,5-difluoro-2-[4-methyl-3,5-bis(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451284
2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 146879083
4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917521
4-[3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370457
4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
CID 21221509

Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide (CID 148861191) is 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)cc1.
What is the InChIKey of 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide?
The InChIKey is OZJDBFMXJRLPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c16-15(17,18)11-5-10-7-20-8-14(10)13(6-11)9-1-3-12(4-2-9)23(19,21)22/h1-6,8H,7H2,(H2,19,21,22).
What are the key properties of 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide?
4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide is sourced from PubChem (CID 148861191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).