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

C16H16N2O5S — CID 22548325

IUPACN-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1
InChIInChI=1S/C16H16N2O5S/c1-10-7-13-14(23-9-16(19)17-13)8-15(10)24(20,21)18-11-3-5-12(22-2)6-4-11/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyPXCIXTBUYHBGNZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.14
Rot. Bonds4

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

N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22548325) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22548325
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1
InChIInChI=1S/C16H16N2O5S/c1-10-7-13-14(23-9-16(19)17-13)8-15(10)24(20,21)18-11-3-5-12(22-2)6-4-11/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyPXCIXTBUYHBGNZ-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548447
6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide
CID 171134130
6-bromo-N-[(4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 34030014
7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24886438
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 5312260
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548322
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
7-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 46288697
N-[(4-methoxyphenyl)methyl]-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 53009247
(3S)-N-[(4-methoxyphenyl)methyl]-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 93053149

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 22548325) is N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is PXCIXTBUYHBGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-10-7-13-14(23-9-16(19)17-13)8-15(10)24(20,21)18-11-3-5-12(22-2)6-4-11/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 348.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22548325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).