1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide

C16H16N6O3S — CID 53317384

IUPAC1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide
SMILESCc1c(C(=O)NNS(=O)(=O)c2ccccc2)nnn1Nc1ccccc1
InChIInChI=1S/C16H16N6O3S/c1-12-15(17-20-22(12)19-13-8-4-2-5-9-13)16(23)18-21-26(24,25)14-10-6-3-7-11-14/h2-11,19,21H,1H3,(H,18,23)
InChIKeySDPXVGPCLGUINX-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.09
Rot. Bonds6

About 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide

1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide (PubChem CID 53317384) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide.

Molecular Properties

Compound Name1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide
PubChem CID53317384
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide
SMILESCc1c(C(=O)NNS(=O)(=O)c2ccccc2)nnn1Nc1ccccc1
InChIInChI=1S/C16H16N6O3S/c1-12-15(17-20-22(12)19-13-8-4-2-5-9-13)16(23)18-21-26(24,25)14-10-6-3-7-11-14/h2-11,19,21H,1H3,(H,18,23)
InChIKeySDPXVGPCLGUINX-UHFFFAOYSA-N
XLogP1.09
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide?
The IUPAC name of 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide (CID 53317384) is 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide.
What is the SMILES notation for 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide?
The canonical SMILES for 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide is Cc1c(C(=O)NNS(=O)(=O)c2ccccc2)nnn1Nc1ccccc1.
What is the InChIKey of 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide?
The InChIKey is SDPXVGPCLGUINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-12-15(17-20-22(12)19-13-8-4-2-5-9-13)16(23)18-21-26(24,25)14-10-6-3-7-11-14/h2-11,19,21H,1H3,(H,18,23).
What are the key properties of 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide?
1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide has a molecular weight of 372.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-N'-(benzenesulfonyl)-5-methyltriazole-4-carbohydrazide is sourced from PubChem (CID 53317384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).