8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide

C16H13ClN4O3S — CID 175291165

IUPAC8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide
SMILESCS(=O)(=O)N(N)C(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H13ClN4O3S/c1-25(23,24)21(18)16(22)14-7-4-11-8-19-9-13(15(11)20-14)10-2-5-12(17)6-3-10/h2-9H,18H2,1H3
InChIKeySQXMEVUPUJVNMQ-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.23
Rot. Bonds3

About 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide

8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide (PubChem CID 175291165) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide
PubChem CID175291165
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide
SMILESCS(=O)(=O)N(N)C(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H13ClN4O3S/c1-25(23,24)21(18)16(22)14-7-4-11-8-19-9-13(15(11)20-14)10-2-5-12(17)6-3-10/h2-9H,18H2,1H3
InChIKeySQXMEVUPUJVNMQ-UHFFFAOYSA-N
XLogP2.23
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide?
The IUPAC name of 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide (CID 175291165) is 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide?
The canonical SMILES for 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide is CS(=O)(=O)N(N)C(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide?
The InChIKey is SQXMEVUPUJVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-25(23,24)21(18)16(22)14-7-4-11-8-19-9-13(15(11)20-14)10-2-5-12(17)6-3-10/h2-9H,18H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide?
8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide has a molecular weight of 376.83 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide is sourced from PubChem (CID 175291165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).