2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid

C14H10F3NO5S — CID 68866362

IUPAC2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10F3NO5S/c15-14(16,17)23-9-6-7-11(13(19)20)12(8-9)18-24(21,22)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)
InChIKeyOOIZWQFXILDNEN-UHFFFAOYSA-N
MW361.30 g/mol
LogP3.08
Rot. Bonds5

About 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid

2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid (PubChem CID 68866362) has the molecular formula C14H10F3NO5S and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
PubChem CID68866362
Molecular FormulaC14H10F3NO5S
Molecular Weight361.30 g/mol
Exact Mass361.02
IUPAC Name2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10F3NO5S/c15-14(16,17)23-9-6-7-11(13(19)20)12(8-9)18-24(21,22)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)
InChIKeyOOIZWQFXILDNEN-UHFFFAOYSA-N
XLogP3.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2,2,2-trifluoroacetyl)-4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169373254
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
4-(chloromethyl)-2-[(4-phenylmethoxyphenyl)sulfonylamino]benzoic acid
CID 174494242
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid (CID 68866362) is 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid is O=C(O)c1ccc(OC(F)(F)F)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid?
The InChIKey is OOIZWQFXILDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO5S/c15-14(16,17)23-9-6-7-11(13(19)20)12(8-9)18-24(21,22)10-4-2-1-3-5-10/h1-8,18H,(H,19,20).
What are the key properties of 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid?
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid has a molecular weight of 361.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 68866362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).