4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one

C17H20ClN3O3S — CID 11090233

IUPAC4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one
SMILESCc1ccc(S(=O)(=O)n2ncc(NC3CCCCC3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-12-7-9-14(10-8-12)25(23,24)21-17(22)16(18)15(11-19-21)20-13-5-3-2-4-6-13/h7-11,13,20H,2-6H2,1H3
InChIKeyHLYJXACUORLZDJ-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one

4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one (PubChem CID 11090233) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one
PubChem CID11090233
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one
SMILESCc1ccc(S(=O)(=O)n2ncc(NC3CCCCC3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-12-7-9-14(10-8-12)25(23,24)21-17(22)16(18)15(11-19-21)20-13-5-3-2-4-6-13/h7-11,13,20H,2-6H2,1H3
InChIKeyHLYJXACUORLZDJ-UHFFFAOYSA-N
XLogP3.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
CID 114431188
4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
CID 114431194
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102540406
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
CID 114437032
4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
CID 133376432
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
CID 12887290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one (CID 11090233) is 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one is Cc1ccc(S(=O)(=O)n2ncc(NC3CCCCC3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one?
The InChIKey is HLYJXACUORLZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-12-7-9-14(10-8-12)25(23,24)21-17(22)16(18)15(11-19-21)20-13-5-3-2-4-6-13/h7-11,13,20H,2-6H2,1H3.
What are the key properties of 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one?
4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one has a molecular weight of 381.89 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclohexylamino)-2-(4-methylphenyl)sulfonylpyridazin-3-one is sourced from PubChem (CID 11090233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).