N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide

C16H16N2O5S — CID 110759012

IUPACN-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C16H16N2O5S/c1-18-13-9-11(7-8-15(13)23-10-16(18)19)24(20,21)17-12-5-3-4-6-14(12)22-2/h3-9,17H,10H2,1-2H3
InChIKeyCDOUBYHZCQXCSC-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.85
Rot. Bonds4

About N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide

N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide (PubChem CID 110759012) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
PubChem CID110759012
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C16H16N2O5S/c1-18-13-9-11(7-8-15(13)23-10-16(18)19)24(20,21)17-12-5-3-4-6-14(12)22-2/h3-9,17H,10H2,1-2H3
InChIKeyCDOUBYHZCQXCSC-UHFFFAOYSA-N
XLogP1.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394791
4-methyl-3-oxo-N-prop-2-enyl-1,4-benzoxazine-6-sulfonamide
CID 95969900
2-[6-[(2-acetylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766313
N,N-diethyl-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110758990
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713352
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide (CID 110759012) is N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
The InChIKey is CDOUBYHZCQXCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-18-13-9-11(7-8-15(13)23-10-16(18)19)24(20,21)17-12-5-3-4-6-14(12)22-2/h3-9,17H,10H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide has a molecular weight of 348.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110759012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).