N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C16H13F3N4O2S — CID 24822863

IUPACN-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)13-5-1-11(2-6-13)12-3-7-15(8-4-12)26(24,25)21-10-14-9-20-23-22-14/h1-9,21H,10H2,(H,20,22,23)
InChIKeyJNVOSGBMLXCBJZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.97
Rot. Bonds5

About N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 24822863) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID24822863
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC NameN-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)13-5-1-11(2-6-13)12-3-7-15(8-4-12)26(24,25)21-10-14-9-20-23-22-14/h1-9,21H,10H2,(H,20,22,23)
InChIKeyJNVOSGBMLXCBJZ-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]triazole
CID 102112884
4-methyl-N-(4-phenyltriazol-1-yl)benzenesulfonamide
CID 13553896
4-(4-Methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1 h-1,2,3-triazole
CID 53235743
N-((1H-1,2,3-triazol-5-yl)methyl)-4'-(fluoro)biphenyl-4-sulfonamide
CID 24822866
n-(2-(1h-1,2,3-Triazol-5-yl)propan-2-yl)-4'-(trifluoromethyl) biphenyl-4-sulfonamide
CID 24823026
N-[3-(2H-triazol-4-yl)pentan-3-yl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24823027
n-(2-(1h-1,2,3-Triazol-5-yl)propan-2-yl)-n-(2-methoxyethyl)-4'-(trifluoromethyl)biphenyl-4-sulfonamide
CID 24823184
1-Tosyl-4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
CID 25242131
N-[2-(2H-triazol-4-yl)propan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 68503855
4-[4-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]-N-[2-(2H-triazol-4-yl)propan-2-yl]benzenesulfonamide
CID 68508888
4-[4-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-[2-(2H-triazol-4-yl)propan-2-yl]benzenesulfonamide
CID 68508891
1-(4-Methylphenyl)sulfonyl-4-[2-[4-(trifluoromethyl)phenyl]phenyl]triazole
CID 142732080

Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 24822863) is N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(NCc1cn[nH]n1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is JNVOSGBMLXCBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)13-5-1-11(2-6-13)12-3-7-15(8-4-12)26(24,25)21-10-14-9-20-23-22-14/h1-9,21H,10H2,(H,20,22,23).
What are the key properties of N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24822863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).