4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine

C18H19NO3S — CID 110639268

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)CCC3)CCO2
InChIInChI=1S/C18H19NO3S/c1-13-5-8-18-17(11-13)19(9-10-22-18)23(20,21)16-7-6-14-3-2-4-15(14)12-16/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyASTJILKPWLEIKJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.07
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 110639268) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID110639268
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)CCC3)CCO2
InChIInChI=1S/C18H19NO3S/c1-13-5-8-18-17(11-13)19(9-10-22-18)23(20,21)16-7-6-14-3-2-4-15(14)12-16/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyASTJILKPWLEIKJ-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639223
1-[6-[(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20969859
4-(4-ethoxyphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639260
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639263
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
6-fluoro-4-(4-fluoro-3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639369
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110412114
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110639743
5-[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidine-2-carbonitrile
CID 67172734
4-(1,3-benzodioxol-5-ylsulfonyl)-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639375
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine (CID 110639268) is 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine is Cc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)CCC3)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ASTJILKPWLEIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-5-8-18-17(11-13)19(9-10-22-18)23(20,21)16-7-6-14-3-2-4-15(14)12-16/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine?
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 329.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 110639268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).