[4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate

C15H11F3N4O4S — CID 156521509

IUPAC[4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3OC(F)(F)F)nn2)cc1
InChIInChI=1S/C15H11F3N4O4S/c16-15(17,18)25-14-4-2-1-3-13(14)22-9-12(20-21-22)10-5-7-11(8-6-10)26-27(19,23)24/h1-9H,(H2,19,23,24)
InChIKeyBBAQWSLNAGBJKQ-UHFFFAOYSA-N
MW400.34 g/mol
LogP2.42
Rot. Bonds5

About [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate

[4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate (PubChem CID 156521509) has the molecular formula C15H11F3N4O4S and a molecular weight of 400.34 g/mol. Its IUPAC name is [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate
PubChem CID156521509
Molecular FormulaC15H11F3N4O4S
Molecular Weight400.34 g/mol
Exact Mass400.05
IUPAC Name[4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3OC(F)(F)F)nn2)cc1
InChIInChI=1S/C15H11F3N4O4S/c16-15(17,18)25-14-4-2-1-3-13(14)22-9-12(20-21-22)10-5-7-11(8-6-10)26-27(19,23)24/h1-9H,(H2,19,23,24)
InChIKeyBBAQWSLNAGBJKQ-UHFFFAOYSA-N
XLogP2.42
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(3,5-Difluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 151462704
[4-[1-(3-Fluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 156521655
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 25071014
3-[4-(3-Carbamimidoylphenyl)triazol-1-yl]-4-methoxybenzenecarboximidamide;dihydrochloride
CID 44627101
4-methoxy-N'-propan-2-yl-3-[4-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]triazol-1-yl]benzenecarboximidamide;dihydrochloride
CID 44627103
3-[4-(4-Carbamimidoylphenyl)triazol-1-yl]-4-methoxybenzenecarboximidamide;dihydrochloride
CID 44627651
4-methoxy-N'-propan-2-yl-3-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]triazol-1-yl]benzenecarboximidamide;dihydrochloride
CID 44627653
6-[4-[4-(Trifluoromethoxy)phenyl]triazol-1-yl]-1,2lambda6-benzoxathiine 2,2-dioxide
CID 71545216
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
4-[1-[4-(Trifluoromethoxy)phenyl]triazol-4-yl]aniline
CID 11565966

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate?
The IUPAC name of [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate (CID 156521509) is [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate.
What is the SMILES notation for [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate?
The canonical SMILES for [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(-c2cn(-c3ccccc3OC(F)(F)F)nn2)cc1.
What is the InChIKey of [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate?
The InChIKey is BBAQWSLNAGBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O4S/c16-15(17,18)25-14-4-2-1-3-13(14)22-9-12(20-21-22)10-5-7-11(8-6-10)26-27(19,23)24/h1-9H,(H2,19,23,24).
What are the key properties of [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate?
[4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate has a molecular weight of 400.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate is sourced from PubChem (CID 156521509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).