N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide

C14H13N5O2S — CID 802147

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C14H13N5O2S/c15-13-16-14(17-19(13)11-7-3-1-4-8-11)18-22(20,21)12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18)
InChIKeyLJXSPXYVFTXKCH-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.65
Rot. Bonds4

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 802147) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID802147
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C14H13N5O2S/c15-13-16-14(17-19(13)11-7-3-1-4-8-11)18-22(20,21)12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18)
InChIKeyLJXSPXYVFTXKCH-UHFFFAOYSA-N
XLogP1.65
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 802147) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide is Nc1nc(NS(=O)(=O)c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is LJXSPXYVFTXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c15-13-16-14(17-19(13)11-7-3-1-4-8-11)18-22(20,21)12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 315.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 802147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).