(2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone

C19H22N2O3S — CID 16626288

IUPAC(2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)n2cccc/c2=N\C2CCCCC2)c1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)17-11-7-8-15(14-17)19(22)21-13-6-5-12-18(21)20-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3/b20-18+
InChIKeyZMDTWSCXLGRLRR-CZIZESTLSA-N
MW358.46 g/mol
LogP2.81
Rot. Bonds3

About (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone

(2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone (PubChem CID 16626288) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone
PubChem CID16626288
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)n2cccc/c2=N\C2CCCCC2)c1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)17-11-7-8-15(14-17)19(22)21-13-6-5-12-18(21)20-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3/b20-18+
InChIKeyZMDTWSCXLGRLRR-CZIZESTLSA-N
XLogP2.81
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone (CID 16626288) is (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)n2cccc/c2=N\C2CCCCC2)c1.
What is the InChIKey of (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is ZMDTWSCXLGRLRR-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(23,24)17-11-7-8-15(14-17)19(22)21-13-6-5-12-18(21)20-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3/b20-18+.
What are the key properties of (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone?
(2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 358.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 16626288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).