2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide

C18H24N4O2S — CID 27262183

IUPAC2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3C)nn2)cc1S(N)(=O)=O
InChIInChI=1S/C18H24N4O2S/c1-12-5-3-4-6-15(12)20-18-10-9-16(21-22-18)14-8-7-13(2)17(11-14)25(19,23)24/h7-12,15H,3-6H2,1-2H3,(H,20,22)(H2,19,23,24)/t12-,15-/m0/s1
InChIKeyAESAJCOUPVNTRB-WFASDCNBSA-N
MW360.48 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide

2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 27262183) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide
PubChem CID27262183
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3C)nn2)cc1S(N)(=O)=O
InChIInChI=1S/C18H24N4O2S/c1-12-5-3-4-6-15(12)20-18-10-9-16(21-22-18)14-8-7-13(2)17(11-14)25(19,23)24/h7-12,15H,3-6H2,1-2H3,(H,20,22)(H2,19,23,24)/t12-,15-/m0/s1
InChIKeyAESAJCOUPVNTRB-WFASDCNBSA-N
XLogP3.09
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(cyclohexylamino)pyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 27262288
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
5-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 27245270
5-amino-2-methyl-3-[(2-methylcyclohexyl)amino]benzenesulfonamide
CID 79896994
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 27260550
N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 27262297
N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104534
(2R,3R)-N-[6-(3-fluoro-4-methylphenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90928452
N-(2-methylcyclohexyl)pyridazin-3-amine
CID 62481216
2,3-dimethyl-N-(2-methylcyclohexyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 46366251
4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
CID 53104600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide (CID 27262183) is 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide is Cc1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3C)nn2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is AESAJCOUPVNTRB-WFASDCNBSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-5-3-4-6-15(12)20-18-10-9-16(21-22-18)14-8-7-13(2)17(11-14)25(19,23)24/h7-12,15H,3-6H2,1-2H3,(H,20,22)(H2,19,23,24)/t12-,15-/m0/s1.
What are the key properties of 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide?
2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 27262183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).