4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide

C18H16N2O5S — CID 4895473

IUPAC4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide
SMILESCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(S(N)(=O)=O)cc1)C3
InChIInChI=1S/C18H16N2O5S/c1-11-8-17(21)25-18-14(11)6-7-16-15(18)9-20(10-24-16)12-2-4-13(5-3-12)26(19,22)23/h2-8H,9-10H2,1H3,(H2,19,22,23)
InChIKeyDZONKKHDFPITAQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.11
Rot. Bonds2

About 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide

4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide (PubChem CID 4895473) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide
PubChem CID4895473
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide
SMILESCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(S(N)(=O)=O)cc1)C3
InChIInChI=1S/C18H16N2O5S/c1-11-8-17(21)25-18-14(11)6-7-16-15(18)9-20(10-24-16)12-2-4-13(5-3-12)26(19,22)23/h2-8H,9-10H2,1H3,(H2,19,22,23)
InChIKeyDZONKKHDFPITAQ-UHFFFAOYSA-N
XLogP2.11
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4970332
9-(3-chloro-4-methylphenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 2017103
9-(3,5-dimethylphenyl)-4-propyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 944874
3-(3,5-dichlorophenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
CID 3757673
4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3841038
4-(3-chloro-4-methoxyphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-16-one
CID 2033914
ethyl 4-(3-ethyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoate
CID 20915636
3-propan-2-yl-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
CID 7660228
4-(4-bromo-2-chlorophenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-16-one
CID 3729216
3-benzyl-9-(3-fluorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3825479
9-(2,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 22426269
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide?
The IUPAC name of 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide (CID 4895473) is 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide is Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(S(N)(=O)=O)cc1)C3.
What is the InChIKey of 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide?
The InChIKey is DZONKKHDFPITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-8-17(21)25-18-14(11)6-7-16-15(18)9-20(10-24-16)12-2-4-13(5-3-12)26(19,22)23/h2-8H,9-10H2,1H3,(H2,19,22,23).
What are the key properties of 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide?
4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide is sourced from PubChem (CID 4895473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).