2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C19H25N3O3S — CID 46366251

IUPAC2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)NC2CCCCC2C)c1C
InChIInChI=1S/C19H25N3O3S/c1-12-6-4-5-7-16(12)22-26(24,25)18-11-15(10-13(2)14(18)3)17-8-9-19(23)21-20-17/h8-12,16,22H,4-7H2,1-3H3,(H,21,23)
InChIKeyCTPACHDZLXFPNM-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.91
Rot. Bonds4

About 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 46366251) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID46366251
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)NC2CCCCC2C)c1C
InChIInChI=1S/C19H25N3O3S/c1-12-6-4-5-7-16(12)22-26(24,25)18-11-15(10-13(2)14(18)3)17-8-9-19(23)21-20-17/h8-12,16,22H,4-7H2,1-3H3,(H,21,23)
InChIKeyCTPACHDZLXFPNM-UHFFFAOYSA-N
XLogP2.91
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitrobenzenesulfonamide
CID 7798978
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 46366251) is 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)NC2CCCCC2C)c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is CTPACHDZLXFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-6-4-5-7-16(12)22-26(24,25)18-11-15(10-13(2)14(18)3)17-8-9-19(23)21-20-17/h8-12,16,22H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 46366251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).