N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide

C17H16N2O5S — CID 110676949

IUPACN-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C17H16N2O5S/c1-2-19(11-12-6-4-3-5-7-12)25(22,23)13-8-9-15-14(10-13)16(20)24-17(21)18-15/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyURIRLRDIVFFKBZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.69
Rot. Bonds5

About N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide

N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide (PubChem CID 110676949) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
PubChem CID110676949
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C17H16N2O5S/c1-2-19(11-12-6-4-3-5-7-12)25(22,23)13-8-9-15-14(10-13)16(20)24-17(21)18-15/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyURIRLRDIVFFKBZ-UHFFFAOYSA-N
XLogP1.69
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676994
3-[benzyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]propanoic acid
CID 45328014
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238825

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide (CID 110676949) is N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1.
What is the InChIKey of N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
The InChIKey is URIRLRDIVFFKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-2-19(11-12-6-4-3-5-7-12)25(22,23)13-8-9-15-14(10-13)16(20)24-17(21)18-15/h3-10H,2,11H2,1H3,(H,18,21).
What are the key properties of N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide has a molecular weight of 360.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110676949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).