N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C18H20N2O6S — CID 22548447

IUPACN-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1ccc(OC)c(N(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1
InChIInChI=1S/C18H20N2O6S/c1-11-7-13-16(26-10-18(21)19-13)9-17(11)27(22,23)20(2)14-8-12(24-3)5-6-15(14)25-4/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyVEMIWUOMXJPNSZ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.17
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22548447) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22548447
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1ccc(OC)c(N(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1
InChIInChI=1S/C18H20N2O6S/c1-11-7-13-16(26-10-18(21)19-13)9-17(11)27(22,23)20(2)14-8-12(24-3)5-6-15(14)25-4/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyVEMIWUOMXJPNSZ-UHFFFAOYSA-N
XLogP2.17
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497
N-(2,5-dimethoxyphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 53068321
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
N-[(2,5-dimethoxyphenyl)methyl]-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 53006281
2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110291824
7-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 53064702
N-(3-methoxyphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288628
2-[methyl-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetic acid
CID 17175027
2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid
CID 120666197
(2-methoxy-4-methylphenyl) 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonate
CID 47027372
6-chloro-N-methyl-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 46359829

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 22548447) is N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is COc1ccc(OC)c(N(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is VEMIWUOMXJPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-11-7-13-16(26-10-18(21)19-13)9-17(11)27(22,23)20(2)14-8-12(24-3)5-6-15(14)25-4/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 392.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22548447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).