1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide

C14H11N3O5S — CID 110677053

IUPAC1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide
SMILESCn1c(=O)oc(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21
InChIInChI=1S/C14H11N3O5S/c1-17-11-6-5-9(8-10(11)13(18)22-14(17)19)23(20,21)16-12-4-2-3-7-15-12/h2-8H,1H3,(H,15,16)
InChIKeyHFLBBTALGLTVGF-UHFFFAOYSA-N
MW333.33 g/mol
LogP0.69
Rot. Bonds3

About 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide

1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide (PubChem CID 110677053) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide
PubChem CID110677053
Molecular FormulaC14H11N3O5S
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide
SMILESCn1c(=O)oc(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21
InChIInChI=1S/C14H11N3O5S/c1-17-11-6-5-9(8-10(11)13(18)22-14(17)19)23(20,21)16-12-4-2-3-7-15-12/h2-8H,1H3,(H,15,16)
InChIKeyHFLBBTALGLTVGF-UHFFFAOYSA-N
XLogP0.69
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide
CID 110677037
3-methyl-2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-benzoxazole-5-sulfonamide
CID 122314444
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate
CID 146025128
3-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534526
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 72735611
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide (CID 110677053) is 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide is Cn1c(=O)oc(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21.
What is the InChIKey of 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide?
The InChIKey is HFLBBTALGLTVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c1-17-11-6-5-9(8-10(11)13(18)22-14(17)19)23(20,21)16-12-4-2-3-7-15-12/h2-8H,1H3,(H,15,16).
What are the key properties of 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide?
1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide has a molecular weight of 333.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).