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

C9H11N7O3S — CID 155547507

IUPAC4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNNC(=O)c1nc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C9H11N7O3S/c10-9-13-7(8(17)14-11)15-16(9)5-1-3-6(4-2-5)20(12,18)19/h1-4H,11H2,(H,14,17)(H2,10,13,15)(H2,12,18,19)
InChIKeyFTVGYRWDFYHZKI-UHFFFAOYSA-N
MW297.30 g/mol
LogP-1.90
Rot. Bonds3

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

4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 155547507) has the molecular formula C9H11N7O3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID155547507
Molecular FormulaC9H11N7O3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNNC(=O)c1nc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C9H11N7O3S/c10-9-13-7(8(17)14-11)15-16(9)5-1-3-6(4-2-5)20(12,18)19/h1-4H,11H2,(H,14,17)(H2,10,13,15)(H2,12,18,19)
InChIKeyFTVGYRWDFYHZKI-UHFFFAOYSA-N
XLogP-1.90
TPSA172.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 155547507) is 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide is NNC(=O)c1nc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is FTVGYRWDFYHZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O3S/c10-9-13-7(8(17)14-11)15-16(9)5-1-3-6(4-2-5)20(12,18)19/h1-4H,11H2,(H,14,17)(H2,10,13,15)(H2,12,18,19).
What are the key properties of 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of -1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(hydrazinecarbonyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155547507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).