6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane

C15H18N6O4S2 — CID 170964840

IUPAC6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(C(=O)NN)nc1.S
InChIInChI=1S/C15H16N6O4S.H2S/c1-21-14-9(7-18-21)3-6-12(25-2)13(14)20-26(23,24)10-4-5-11(17-8-10)15(22)19-16;/h3-8,20H,16H2,1-2H3,(H,19,22);1H2
InChIKeyQUOFRKWCYFSIKH-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.49
Rot. Bonds5

About 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane

6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane (PubChem CID 170964840) has the molecular formula C15H18N6O4S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane.

Molecular Properties

Compound Name6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane
PubChem CID170964840
Molecular FormulaC15H18N6O4S2
Molecular Weight410.48 g/mol
Exact Mass410.08
IUPAC Name6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(C(=O)NN)nc1.S
InChIInChI=1S/C15H16N6O4S.H2S/c1-21-14-9(7-18-21)3-6-12(25-2)13(14)20-26(23,24)10-4-5-11(17-8-10)15(22)19-16;/h3-8,20H,16H2,1-2H3,(H,19,22);1H2
InChIKeyQUOFRKWCYFSIKH-UHFFFAOYSA-N
XLogP0.49
TPSA141.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.49
H-Bond Donors ≤ 53
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 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane?
The IUPAC name of 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane (CID 170964840) is 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane.
What is the SMILES notation for 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane?
The canonical SMILES for 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1ccc(C(=O)NN)nc1.S.
What is the InChIKey of 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane?
The InChIKey is QUOFRKWCYFSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4S.H2S/c1-21-14-9(7-18-21)3-6-12(25-2)13(14)20-26(23,24)10-4-5-11(17-8-10)15(22)19-16;/h3-8,20H,16H2,1-2H3,(H,19,22);1H2.
What are the key properties of 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane?
6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane has a molecular weight of 410.48 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane is sourced from PubChem (CID 170964840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).