N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide

C16H16N2O4S — CID 5295635

IUPACN,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)NC(=O)CO2
InChIInChI=1S/C16H16N2O4S/c1-11-8-14-13(17-16(19)10-22-14)9-15(11)23(20,21)18(2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyJBGIXIJVTGHAEK-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.15
Rot. Bonds3

About N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide

N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 5295635) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID5295635
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)NC(=O)CO2
InChIInChI=1S/C16H16N2O4S/c1-11-8-14-13(17-16(19)10-22-14)9-15(11)23(20,21)18(2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyJBGIXIJVTGHAEK-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide (CID 5295635) is N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide is Cc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)NC(=O)CO2.
What is the InChIKey of N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is JBGIXIJVTGHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-8-14-13(17-16(19)10-22-14)9-15(11)23(20,21)18(2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide?
N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 5295635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).