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

C15H14N2O5S — CID 4714730

IUPACN-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-21-11-4-2-10(3-5-11)17-23(19,20)12-6-7-14-13(8-12)16-15(18)9-22-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyTXSPSVLYQZBHHT-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.83
Rot. Bonds4

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

N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 4714730) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID4714730
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-21-11-4-2-10(3-5-11)17-23(19,20)12-6-7-14-13(8-12)16-15(18)9-22-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyTXSPSVLYQZBHHT-UHFFFAOYSA-N
XLogP1.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 4714730) is N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is TXSPSVLYQZBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-21-11-4-2-10(3-5-11)17-23(19,20)12-6-7-14-13(8-12)16-15(18)9-22-14/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 334.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 4714730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).