4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide

C15H13F3N2O4S — CID 46657919

IUPAC4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O4S/c16-15(17,18)24-13-4-2-1-3-11(13)9-20-25(22,23)12-7-5-10(6-8-12)14(19)21/h1-8,20H,9H2,(H2,19,21)
InChIKeyKFXHHRTZYWIAHS-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.16
Rot. Bonds6

About 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide

4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide (PubChem CID 46657919) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
PubChem CID46657919
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O4S/c16-15(17,18)24-13-4-2-1-3-11(13)9-20-25(22,23)12-7-5-10(6-8-12)14(19)21/h1-8,20H,9H2,(H2,19,21)
InChIKeyKFXHHRTZYWIAHS-UHFFFAOYSA-N
XLogP2.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
4-N,4-N-diethyl-1-N-[[2-(trifluoromethoxy)phenyl]methyl]benzene-1,4-disulfonamide
CID 24556290
N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862161
3-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3859291
1-(pyridin-4-ylmethyl)-3-[4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]phenyl]urea
CID 135223136
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
1-(pyridin-4-ylmethyl)-3-[4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]phenyl]thiourea
CID 175587630
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38076715
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3551979

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide?
The IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide (CID 46657919) is 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide.
What is the SMILES notation for 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide?
The canonical SMILES for 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide?
The InChIKey is KFXHHRTZYWIAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c16-15(17,18)24-13-4-2-1-3-11(13)9-20-25(22,23)12-7-5-10(6-8-12)14(19)21/h1-8,20H,9H2,(H2,19,21).
What are the key properties of 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide?
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide is sourced from PubChem (CID 46657919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).