4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

C15H15NO4S — CID 1473035

IUPAC4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1
InChIInChI=1S/C15H15NO4S/c1-19-12-6-8-13(9-7-12)21(17,18)16-10-11-20-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKeyQXCCHJXFTBHROS-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.28
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 1473035) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID1473035
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1
InChIInChI=1S/C15H15NO4S/c1-19-12-6-8-13(9-7-12)21(17,18)16-10-11-20-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKeyQXCCHJXFTBHROS-UHFFFAOYSA-N
XLogP2.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Psb-12062
CID 2320735
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
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Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
2-(4-Ethoxyphenoxy)-5-(morpholine-4-sulfonyl)aniline
CID 3833553
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide
CID 1643
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455430
N-[5-[(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)sulfonyl]-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457213
N-[5-[(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71459070
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 1473035) is 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine is COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is QXCCHJXFTBHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-12-6-8-13(9-7-12)21(17,18)16-10-11-20-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 305.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 1473035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).