[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate

C15H14N4O3S — CID 160971496

IUPAC[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate
SMILESCc1ccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O3S/c1-11-2-6-13(7-3-11)19-10-15(17-18-19)12-4-8-14(9-5-12)22-23(16,20)21/h2-10H,1H3,(H2,16,20,21)
InChIKeySYHUJHWPQBJTQB-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.83
Rot. Bonds4

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

[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate (PubChem CID 160971496) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate
PubChem CID160971496
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate
SMILESCc1ccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O3S/c1-11-2-6-13(7-3-11)19-10-15(17-18-19)12-4-8-14(9-5-12)22-23(16,20)21/h2-10H,1H3,(H2,16,20,21)
InChIKeySYHUJHWPQBJTQB-UHFFFAOYSA-N
XLogP1.83
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
[4-[1-(3-fluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 156521655
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71770791
4-[1-(4-methylphenyl)triazol-4-yl]benzonitrile
CID 134864603
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
methyl 4-[1-(4-methoxycarbonylphenyl)triazol-4-yl]benzoate
CID 102197872
1-(4-methylphenyl)triazole-4-sulfonic acid
CID 141389372
N,N-dimethyl-2-[4-[5-[4-[1-(4-methylphenyl)triazol-4-yl]phenyl]-1,2-dihydrotriazol-3-yl]phenoxy]ethanamine
CID 163948284
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
4-[4-(4-methoxyphenyl)triazol-1-yl]pyridine-2,6-dicarboxylic acid
CID 89482650

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate?
The IUPAC name of [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate (CID 160971496) is [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate.
What is the SMILES notation for [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate?
The canonical SMILES for [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate is Cc1ccc(-n2cc(-c3ccc(OS(N)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate?
The InChIKey is SYHUJHWPQBJTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-11-2-6-13(7-3-11)19-10-15(17-18-19)12-4-8-14(9-5-12)22-23(16,20)21/h2-10H,1H3,(H2,16,20,21).
What are the key properties of [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate?
[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate has a molecular weight of 330.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate is sourced from PubChem (CID 160971496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).