1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide

C17H16N2O5S — CID 110677114

IUPAC1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc21
InChIInChI=1S/C17H16N2O5S/c1-3-19-15-10-9-13(11-14(15)16(20)24-17(19)21)25(22,23)18(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyHCRLVECQKSSBIY-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.80
Rot. Bonds4

About 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide

1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide (PubChem CID 110677114) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
PubChem CID110677114
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc21
InChIInChI=1S/C17H16N2O5S/c1-3-19-15-10-9-13(11-14(15)16(20)24-17(19)21)25(22,23)18(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyHCRLVECQKSSBIY-UHFFFAOYSA-N
XLogP1.80
TPSA89.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677099
N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677089
N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677116
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3689180
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide (CID 110677114) is 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide is CCn1c(=O)oc(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide?
The InChIKey is HCRLVECQKSSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-3-19-15-10-9-13(11-14(15)16(20)24-17(19)21)25(22,23)18(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide?
1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide has a molecular weight of 360.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110677114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).