5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine

C15H14N4O2S — CID 94938426

IUPAC5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine
SMILESCc1ccccc1-n1nnc(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C15H14N4O2S/c1-11-7-5-6-10-13(11)19-14(16)15(17-18-19)22(20,21)12-8-3-2-4-9-12/h2-10H,16H2,1H3
InChIKeyXNZGUKQZDLBXEQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.99
Rot. Bonds3

About 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine

5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine (PubChem CID 94938426) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine
PubChem CID94938426
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine
SMILESCc1ccccc1-n1nnc(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C15H14N4O2S/c1-11-7-5-6-10-13(11)19-14(16)15(17-18-19)22(20,21)12-8-3-2-4-9-12/h2-10H,16H2,1H3
InChIKeyXNZGUKQZDLBXEQ-UHFFFAOYSA-N
XLogP1.99
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine (CID 94938426) is 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine is Cc1ccccc1-n1nnc(S(=O)(=O)c2ccccc2)c1N.
What is the InChIKey of 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine?
The InChIKey is XNZGUKQZDLBXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-11-7-5-6-10-13(11)19-14(16)15(17-18-19)22(20,21)12-8-3-2-4-9-12/h2-10H,16H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine?
5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine has a molecular weight of 314.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine is sourced from PubChem (CID 94938426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).