2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide

C15H13F3N2O4S — CID 175931825

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(N)=O)cc1
InChIInChI=1S/C15H13F3N2O4S/c1-24-10-3-5-11(6-4-10)25(22,23)20-13-7-2-9(15(16,17)18)8-12(13)14(19)21/h2-8,20H,1H3,(H2,19,21)
InChIKeyFXAAZUOVEAZKQR-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.61
Rot. Bonds5

About 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide

2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide (PubChem CID 175931825) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
PubChem CID175931825
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(N)=O)cc1
InChIInChI=1S/C15H13F3N2O4S/c1-24-10-3-5-11(6-4-10)25(22,23)20-13-7-2-9(15(16,17)18)8-12(13)14(19)21/h2-8,20H,1H3,(H2,19,21)
InChIKeyFXAAZUOVEAZKQR-UHFFFAOYSA-N
XLogP2.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
2-[(4-methoxyphenyl)sulfonylamino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282073
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
CID 36591620
methyl 2-[(4-cyanophenyl)sulfonylamino]-4-(trifluoromethyl)benzoate
CID 151445715
2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 171356961
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 160579287
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate
CID 59788614

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide (CID 175931825) is 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide?
The InChIKey is FXAAZUOVEAZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-24-10-3-5-11(6-4-10)25(22,23)20-13-7-2-9(15(16,17)18)8-12(13)14(19)21/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide?
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 175931825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).