N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide

C22H16F3N5O3S — CID 172636302

IUPACN-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)nn2)cc1
InChIInChI=1S/C22H16F3N5O3S/c23-22(24,25)16-5-1-4-15(11-16)21(31)27-17-6-2-3-14(12-17)20-13-30(29-28-20)18-7-9-19(10-8-18)34(26,32)33/h1-13H,(H,27,31)(H2,26,32,33)
InChIKeySBEMQHBXSZCJIN-UHFFFAOYSA-N
MW487.46 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 172636302) has the molecular formula C22H16F3N5O3S and a molecular weight of 487.46 g/mol. Its IUPAC name is N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID172636302
Molecular FormulaC22H16F3N5O3S
Molecular Weight487.46 g/mol
Exact Mass487.09
IUPAC NameN-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)nn2)cc1
InChIInChI=1S/C22H16F3N5O3S/c23-22(24,25)16-5-1-4-15(11-16)21(31)27-17-6-2-3-14(12-17)20-13-30(29-28-20)18-7-9-19(10-8-18)34(26,32)33/h1-13H,(H,27,31)(H2,26,32,33)
InChIKeySBEMQHBXSZCJIN-UHFFFAOYSA-N
XLogP3.85
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
CID 168279052
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(piperidine-1-sulfonyl)benzamide
CID 5109873
N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
CID 134140807
N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
CID 134150760
4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 147709549
3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
CID 148637488
3-(4-Piperidin-4-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzamide
CID 139406785
4-sulfamoyl-N-[[1-(4-sulfamoylphenyl)triazol-4-yl]methyl]benzamide
CID 44439120

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 172636302) is N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is NS(=O)(=O)c1ccc(-n2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)nn2)cc1.
What is the InChIKey of N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SBEMQHBXSZCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3S/c23-22(24,25)16-5-1-4-15(11-16)21(31)27-17-6-2-3-14(12-17)20-13-30(29-28-20)18-7-9-19(10-8-18)34(26,32)33/h1-13H,(H,27,31)(H2,26,32,33).
What are the key properties of N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 487.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 172636302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).