3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide

C15H12F4N2O3S — CID 47073253

IUPAC3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
SMILESCc1c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cccc1C(N)=O
InChIInChI=1S/C15H12F4N2O3S/c1-8-10(14(20)22)3-2-4-13(8)21-25(23,24)9-5-6-12(16)11(7-9)15(17,18)19/h2-7,21H,1H3,(H2,20,22)
InChIKeyRBTMEVGAUYXNIT-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.05
Rot. Bonds4

About 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide

3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide (PubChem CID 47073253) has the molecular formula C15H12F4N2O3S and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
PubChem CID47073253
Molecular FormulaC15H12F4N2O3S
Molecular Weight376.33 g/mol
Exact Mass376.05
IUPAC Name3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
SMILESCc1c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cccc1C(N)=O
InChIInChI=1S/C15H12F4N2O3S/c1-8-10(14(20)22)3-2-4-13(8)21-25(23,24)9-5-6-12(16)11(7-9)15(17,18)19/h2-7,21H,1H3,(H2,20,22)
InChIKeyRBTMEVGAUYXNIT-UHFFFAOYSA-N
XLogP3.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 39846063
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 156833350
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3811845
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide?
The IUPAC name of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide (CID 47073253) is 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide?
The canonical SMILES for 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide is Cc1c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cccc1C(N)=O.
What is the InChIKey of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide?
The InChIKey is RBTMEVGAUYXNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3S/c1-8-10(14(20)22)3-2-4-13(8)21-25(23,24)9-5-6-12(16)11(7-9)15(17,18)19/h2-7,21H,1H3,(H2,20,22).
What are the key properties of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide?
3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide has a molecular weight of 376.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide is sourced from PubChem (CID 47073253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).