4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide

C15H15N5O2S — CID 134131659

IUPAC4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CNc3ccccc3)nn2)cc1
InChIInChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
InChIKeySXSHWEHQGDQTRX-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.53
Rot. Bonds5

About 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide

4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide (PubChem CID 134131659) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide
PubChem CID134131659
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CNc3ccccc3)nn2)cc1
InChIInChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
InChIKeySXSHWEHQGDQTRX-UHFFFAOYSA-N
XLogP1.53
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide (CID 134131659) is 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(CNc3ccccc3)nn2)cc1.
What is the InChIKey of 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is SXSHWEHQGDQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22).
What are the key properties of 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide?
4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(anilinomethyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 134131659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).