N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

C16H14N2O4S — CID 15541219

IUPACN,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C16H14N2O4S/c1-11-7-9-12(10-8-11)23(20,21)18(2)16-17-14-6-4-3-5-13(14)15(19)22-16/h3-10H,1-2H3
InChIKeyFDRJXUCJXHUEBU-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.32
Rot. Bonds3

About N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541219) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541219
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C16H14N2O4S/c1-11-7-9-12(10-8-11)23(20,21)18(2)16-17-14-6-4-3-5-13(14)15(19)22-16/h3-10H,1-2H3
InChIKeyFDRJXUCJXHUEBU-UHFFFAOYSA-N
XLogP2.32
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541219) is N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is FDRJXUCJXHUEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-11-7-9-12(10-8-11)23(20,21)18(2)16-17-14-6-4-3-5-13(14)15(19)22-16/h3-10H,1-2H3.
What are the key properties of N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).