4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine

C12H11NO4S — CID 154757419

IUPAC4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1ccoc1)N1CCOc2ccccc21
InChIInChI=1S/C12H11NO4S/c14-18(15,10-5-7-16-9-10)13-6-8-17-12-4-2-1-3-11(12)13/h1-5,7,9H,6,8H2
InChIKeyXEAJEBMXQWZEIN-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.87
Rot. Bonds2

About 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine

4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 154757419) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID154757419
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1ccoc1)N1CCOc2ccccc21
InChIInChI=1S/C12H11NO4S/c14-18(15,10-5-7-16-9-10)13-6-8-17-12-4-2-1-3-11(12)13/h1-5,7,9H,6,8H2
InChIKeyXEAJEBMXQWZEIN-UHFFFAOYSA-N
XLogP1.87
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339
2-bromo-5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 115328875
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 16764920
4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 5301709
2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-5-methylaniline
CID 61113471
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
4-(2-bromo-4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 61063626
4-(4-propan-2-yl-3-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 166782018
N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865770
4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 5301680
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)butanoic acid
CID 43378631

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine (CID 154757419) is 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine is O=S(=O)(c1ccoc1)N1CCOc2ccccc21.
What is the InChIKey of 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is XEAJEBMXQWZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c14-18(15,10-5-7-16-9-10)13-6-8-17-12-4-2-1-3-11(12)13/h1-5,7,9H,6,8H2.
What are the key properties of 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 265.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 154757419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).