N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide

C16H15F3N2O4S — CID 3614029

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O4S/c1-21(2)26(23,24)14-5-3-4-12(10-14)20-15(22)11-6-8-13(9-7-11)25-16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyNZCCNACJMZWQIW-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.09
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 3614029) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID3614029
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O4S/c1-21(2)26(23,24)14-5-3-4-12(10-14)20-15(22)11-6-8-13(9-7-11)25-16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyNZCCNACJMZWQIW-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1968441
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
N-(2-fluoro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764402
3-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168276560
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-methoxybenzamide
CID 2811596
Anti-Influenza agent 4
CID 4156245
4-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)phenyl]butanamide
CID 4803938
N-[4-(aminosulfonyl)phenyl]-4-(tetrahydro-2-furanylmethoxy)benzamide
CID 16293856
3,4-dimethoxy-N-[3-(methylsulfonyl)phenyl]benzamide
CID 1506534

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide (CID 3614029) is N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NZCCNACJMZWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-21(2)26(23,24)14-5-3-4-12(10-14)20-15(22)11-6-8-13(9-7-11)25-16(17,18)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 388.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 3614029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).