4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide

C15H14N6O3S — CID 90682066

IUPAC4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNNC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H14N6O3S/c16-19-15(22)13-18-14(10-4-2-1-3-5-10)21(20-13)11-6-8-12(9-7-11)25(17,23)24/h1-9H,16H2,(H,19,22)(H2,17,23,24)
InChIKeyFTCKAGQWJCTKAW-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.19
Rot. Bonds4

About 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide

4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 90682066) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID90682066
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNNC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H14N6O3S/c16-19-15(22)13-18-14(10-4-2-1-3-5-10)21(20-13)11-6-8-12(9-7-11)25(17,23)24/h1-9H,16H2,(H,19,22)(H2,17,23,24)
InChIKeyFTCKAGQWJCTKAW-UHFFFAOYSA-N
XLogP0.19
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide (CID 90682066) is 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide is NNC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is FTCKAGQWJCTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c16-19-15(22)13-18-14(10-4-2-1-3-5-10)21(20-13)11-6-8-12(9-7-11)25(17,23)24/h1-9H,16H2,(H,19,22)(H2,17,23,24).
What are the key properties of 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 358.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 90682066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).