2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide

C15H15N3O4S — CID 46962904

IUPAC2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESCC1Oc2ccc(S(=O)(=O)NCc3cccnc3)cc2NC1=O
InChIInChI=1S/C15H15N3O4S/c1-10-15(19)18-13-7-12(4-5-14(13)22-10)23(20,21)17-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3,(H,18,19)
InChIKeyRFFHZVKWAZSBHB-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide

2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 46962904) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID46962904
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESCC1Oc2ccc(S(=O)(=O)NCc3cccnc3)cc2NC1=O
InChIInChI=1S/C15H15N3O4S/c1-10-15(19)18-13-7-12(4-5-14(13)22-10)23(20,21)17-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3,(H,18,19)
InChIKeyRFFHZVKWAZSBHB-UHFFFAOYSA-N
XLogP1.28
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110783688
(2R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831048
(2S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831049
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
(2R)-N-(3-methoxypropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 51497441
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide
CID 110783690
2-methyl-6-propylsulfonyl-4H-1,4-benzoxazin-3-one
CID 82233482
(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide (CID 46962904) is 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide is CC1Oc2ccc(S(=O)(=O)NCc3cccnc3)cc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is RFFHZVKWAZSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10-15(19)18-13-7-12(4-5-14(13)22-10)23(20,21)17-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide?
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 46962904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).