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

C16H16N2O4S — CID 22548425

IUPAC6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1
InChIInChI=1S/C16H16N2O4S/c1-10-4-3-5-12(6-10)18-23(20,21)15-8-14-13(7-11(15)2)17-16(19)9-22-14/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyQHAMVCVFLAVRQC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.44
Rot. Bonds3

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

6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22548425) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22548425
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1
InChIInChI=1S/C16H16N2O4S/c1-10-4-3-5-12(6-10)18-23(20,21)15-8-14-13(7-11(15)2)17-16(19)9-22-14/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyQHAMVCVFLAVRQC-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 22548425) is 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1.
What is the InChIKey of 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is QHAMVCVFLAVRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-4-3-5-12(6-10)18-23(20,21)15-8-14-13(7-11(15)2)17-16(19)9-22-14/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22548425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).