N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide

C11H14N2O4S — CID 110412787

IUPACN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
SMILESCC(=O)N1CCOc2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C11H14N2O4S/c1-8(14)13-5-6-17-11-4-3-9(7-10(11)13)12-18(2,15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyIZEUDBFBELWSII-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.80
Rot. Bonds2

About N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide (PubChem CID 110412787) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
PubChem CID110412787
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
SMILESCC(=O)N1CCOc2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C11H14N2O4S/c1-8(14)13-5-6-17-11-4-3-9(7-10(11)13)12-18(2,15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyIZEUDBFBELWSII-UHFFFAOYSA-N
XLogP0.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-ethylthiophene-2-sulfonamide
CID 110412812
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 10679323
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
CID 25219434
4-acetyl-N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519416
N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 110650548
1-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-(2,2-dimethylpropyl)urea
CID 110747559
4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110650367
4-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519354
4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519421
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide
CID 110639956
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-bromobenzamide
CID 110639759

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide (CID 110412787) is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide is CC(=O)N1CCOc2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide?
The InChIKey is IZEUDBFBELWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8(14)13-5-6-17-11-4-3-9(7-10(11)13)12-18(2,15)16/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide?
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide is sourced from PubChem (CID 110412787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).