N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C17H18N2O6S — CID 22548337

IUPACN-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1
InChIInChI=1S/C17H18N2O6S/c1-10-4-14-15(25-9-17(20)18-14)8-16(10)26(21,22)19-11-5-12(23-2)7-13(6-11)24-3/h4-8,19H,9H2,1-3H3,(H,18,20)
InChIKeyMMZYVKZJQYUWDP-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.14
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22548337) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22548337
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1
InChIInChI=1S/C17H18N2O6S/c1-10-4-14-15(25-9-17(20)18-14)8-16(10)26(21,22)19-11-5-12(23-2)7-13(6-11)24-3/h4-8,19H,9H2,1-3H3,(H,18,20)
InChIKeyMMZYVKZJQYUWDP-UHFFFAOYSA-N
XLogP2.14
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 22548337) is N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is COc1cc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is MMZYVKZJQYUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-10-4-14-15(25-9-17(20)18-14)8-16(10)26(21,22)19-11-5-12(23-2)7-13(6-11)24-3/h4-8,19H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 378.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22548337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).