4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride

C10H10ClNO4S — CID 25219434

IUPAC4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
SMILESCC(=O)N1CCOc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H10ClNO4S/c1-7(13)12-4-5-16-10-3-2-8(6-9(10)12)17(11,14)15/h2-3,6H,4-5H2,1H3
InChIKeyABMZXQIJEDEIAB-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.36
Rot. Bonds1

About 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride

4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride (PubChem CID 25219434) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride.

Molecular Properties

Compound Name4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
PubChem CID25219434
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
SMILESCC(=O)N1CCOc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H10ClNO4S/c1-7(13)12-4-5-16-10-3-2-8(6-9(10)12)17(11,14)15/h2-3,6H,4-5H2,1H3
InChIKeyABMZXQIJEDEIAB-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110647609
1-[6-[(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20969859
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 10679323
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110412787
4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
4-acetyl-N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519416
4-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519354
N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 110650548
1-[6-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20895710
4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519421
4-acetyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519424

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride?
The IUPAC name of 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride (CID 25219434) is 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride.
What is the SMILES notation for 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride?
The canonical SMILES for 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride is CC(=O)N1CCOc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride?
The InChIKey is ABMZXQIJEDEIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c1-7(13)12-4-5-16-10-3-2-8(6-9(10)12)17(11,14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride?
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride has a molecular weight of 275.71 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride is sourced from PubChem (CID 25219434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).