3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C17H15F3N2O3S — CID 26718017

IUPAC3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H15F3N2O3S/c18-17(19,20)12-4-6-13(7-5-12)21-16(23)11-2-1-3-15(10-11)26(24,25)22-14-8-9-14/h1-7,10,14,22H,8-9H2,(H,21,23)
InChIKeyUJZVMRHWGHNCAT-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.40
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide

3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 26718017) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID26718017
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H15F3N2O3S/c18-17(19,20)12-4-6-13(7-5-12)21-16(23)11-2-1-3-15(10-11)26(24,25)22-14-8-9-14/h1-7,10,14,22H,8-9H2,(H,21,23)
InChIKeyUJZVMRHWGHNCAT-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
3-[[1-(cyclohexylmethyl)pyrrolidin-3-yl]sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524087
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
S-[4-[[3-(cyclopropylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529932
3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579877
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 26718017) is 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UJZVMRHWGHNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c18-17(19,20)12-4-6-13(7-5-12)21-16(23)11-2-1-3-15(10-11)26(24,25)22-14-8-9-14/h1-7,10,14,22H,8-9H2,(H,21,23).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 384.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).