2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride

C10H10ClNO4S — CID 82372083

IUPAC2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
SMILESCc1cc2c(c(S(=O)(=O)Cl)c1)OC(C)C(=O)N2
InChIInChI=1S/C10H10ClNO4S/c1-5-3-7-9(8(4-5)17(11,14)15)16-6(2)10(13)12-7/h3-4,6H,1-2H3,(H,12,13)
InChIKeyJWKPGVQFPVXBCO-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.64
Rot. Bonds1

About 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride

2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride (PubChem CID 82372083) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride.

Molecular Properties

Compound Name2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
PubChem CID82372083
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
SMILESCc1cc2c(c(S(=O)(=O)Cl)c1)OC(C)C(=O)N2
InChIInChI=1S/C10H10ClNO4S/c1-5-3-7-9(8(4-5)17(11,14)15)16-6(2)10(13)12-7/h3-4,6H,1-2H3,(H,12,13)
InChIKeyJWKPGVQFPVXBCO-UHFFFAOYSA-N
XLogP1.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide
CID 167344356
6-bromo-7,8-dichloro-2-methyl-4H-1,4-benzoxazin-3-one
CID 82234325
(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 94975892
8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
CID 86664225
6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one
CID 82230416
(2R)-6-chloro-2-methyl-8-nitro-4H-1,4-benzoxazin-3-one
CID 11701494
2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844857
8-fluoro-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
CID 87121614
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117
9-amino-3,7-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230450
2-methyl-6-methylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355440
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride?
The IUPAC name of 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride (CID 82372083) is 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride.
What is the SMILES notation for 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride?
The canonical SMILES for 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride is Cc1cc2c(c(S(=O)(=O)Cl)c1)OC(C)C(=O)N2.
What is the InChIKey of 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride?
The InChIKey is JWKPGVQFPVXBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c1-5-3-7-9(8(4-5)17(11,14)15)16-6(2)10(13)12-7/h3-4,6H,1-2H3,(H,12,13).
What are the key properties of 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride?
2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride has a molecular weight of 275.71 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride is sourced from PubChem (CID 82372083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).