(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone

C18H14N2O3S — CID 70960232

IUPAC(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(S(=O)(=O)c3cccnn3)cc2)cc1
InChIInChI=1S/C18H14N2O3S/c1-13-4-6-14(7-5-13)18(21)15-8-10-16(11-9-15)24(22,23)17-3-2-12-19-20-17/h2-12H,1H3
InChIKeyLQPQSTNPZDANKV-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.85
Rot. Bonds4

About (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone

(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone (PubChem CID 70960232) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone
PubChem CID70960232
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(S(=O)(=O)c3cccnn3)cc2)cc1
InChIInChI=1S/C18H14N2O3S/c1-13-4-6-14(7-5-13)18(21)15-8-10-16(11-9-15)24(22,23)17-3-2-12-19-20-17/h2-12H,1H3
InChIKeyLQPQSTNPZDANKV-UHFFFAOYSA-N
XLogP2.85
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene
CID 158258142
3-methyl-6-(4-methylphenyl)sulfonylpyridazine
CID 26599054
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 159488601
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
carbamic acid;4-methylbenzenesulfonic acid
CID 172730422
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157198968

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone?
The IUPAC name of (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone (CID 70960232) is (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone is Cc1ccc(C(=O)c2ccc(S(=O)(=O)c3cccnn3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone?
The InChIKey is LQPQSTNPZDANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-13-4-6-14(7-5-13)18(21)15-8-10-16(11-9-15)24(22,23)17-3-2-12-19-20-17/h2-12H,1H3.
What are the key properties of (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone?
(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone has a molecular weight of 338.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone is sourced from PubChem (CID 70960232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).