(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide

C18H15NO4S — CID 139223658

IUPAC(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2coc3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C18H15NO4S/c1-12-3-6-15(7-4-12)24(21,22)19-10-14-11-23-17-8-5-13(2)9-16(17)18(14)20/h3-11H,1-2H3/b19-10+
InChIKeyXCYDTYBMGXZFNC-VXLYETTFSA-N
MW341.39 g/mol
LogP3.22
Rot. Bonds3

About (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide

(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide (PubChem CID 139223658) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide
PubChem CID139223658
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2coc3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C18H15NO4S/c1-12-3-6-15(7-4-12)24(21,22)19-10-14-11-23-17-8-5-13(2)9-16(17)18(14)20/h3-11H,1-2H3/b19-10+
InChIKeyXCYDTYBMGXZFNC-VXLYETTFSA-N
XLogP3.22
TPSA76.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

zinc;bis(4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide);dihydrochloride
CID 73346691
3-[2-(4-chlorophenyl)sulfonylethenyl]-6-methylchromen-4-one
CID 90702426
3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
CID 6011150
3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one
CID 162625209
4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
CID 44724851
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(E)-3-(5-methyl-1-benzofuran-3-yl)prop-2-enal
CID 131241397
(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792993
6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714737
6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714736
[1-[2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium
CID 4920719
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
CID 108805012

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide (CID 139223658) is (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2coc3ccc(C)cc3c2=O)cc1.
What is the InChIKey of (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide?
The InChIKey is XCYDTYBMGXZFNC-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-12-3-6-15(7-4-12)24(21,22)19-10-14-11-23-17-8-5-13(2)9-16(17)18(14)20/h3-11H,1-2H3/b19-10+.
What are the key properties of (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide?
(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide is sourced from PubChem (CID 139223658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).