N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide

C16H16N2O4S — CID 110783605

IUPACN-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
SMILESCN1C(=O)COc2ccc(CNS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C16H16N2O4S/c1-18-14-9-12(7-8-15(14)22-11-16(18)19)10-17-23(20,21)13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyNKZVYVHOEMDVAZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.52
Rot. Bonds4

About N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide

N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide (PubChem CID 110783605) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
PubChem CID110783605
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
SMILESCN1C(=O)COc2ccc(CNS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C16H16N2O4S/c1-18-14-9-12(7-8-15(14)22-11-16(18)19)10-17-23(20,21)13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyNKZVYVHOEMDVAZ-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]ethanesulfonamide
CID 110783601
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
CID 110783576
4-methyl-3-oxo-N-prop-2-enyl-1,4-benzoxazine-6-sulfonamide
CID 95969900
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-oxopropanamide
CID 115175658
4-methyl-6-[(2-oxopropylamino)methyl]-1,4-benzoxazin-3-one
CID 115234746
2-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783546
4-methyl-6-[2-(methylamino)butyl]-1,4-benzoxazin-3-one
CID 82254613
4-methyl-6-[(3-oxobutylamino)methyl]-1,4-benzoxazin-3-one
CID 115235687
N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770440
N-(3-methoxypropyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110758981
N-benzyl-N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770404
6-(3-aminobutyl)-4-methyl-1,4-benzoxazin-3-one
CID 82475924

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide (CID 110783605) is N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide is CN1C(=O)COc2ccc(CNS(=O)(=O)c3ccccc3)cc21.
What is the InChIKey of N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is NKZVYVHOEMDVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-18-14-9-12(7-8-15(14)22-11-16(18)19)10-17-23(20,21)13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110783605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).