6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

C16H17NO3S — CID 110639263

IUPAC6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C)CCO2
InChIInChI=1S/C16H17NO3S/c1-12-7-8-15-14(11-12)17(9-10-20-15)21(18,19)16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3
InChIKeyUFHUPPXMWAGLLC-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.89
Rot. Bonds2

About 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 110639263) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID110639263
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C)CCO2
InChIInChI=1S/C16H17NO3S/c1-12-7-8-15-14(11-12)17(9-10-20-15)21(18,19)16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3
InChIKeyUFHUPPXMWAGLLC-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110412114
2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-5-methylaniline
CID 61113471
4-(4-ethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639223
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639268
4-(4-ethoxyphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639260
1-[6-[(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20969859
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865760
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
6-chloro-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639498
2-[4-[(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonylmethyl]phenyl]acetonitrile
CID 166357431
N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865770

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 110639263) is 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine is Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C)CCO2.
What is the InChIKey of 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is UFHUPPXMWAGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-7-8-15-14(11-12)17(9-10-20-15)21(18,19)16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 303.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 110639263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).