4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine

C18H14FNO3S — CID 5301709

IUPAC4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1ccc(F)c2ccccc12)N1CCOc2ccccc21
InChIInChI=1S/C18H14FNO3S/c19-15-9-10-18(14-6-2-1-5-13(14)15)24(21,22)20-11-12-23-17-8-4-3-7-16(17)20/h1-10H,11-12H2
InChIKeyGILINVVCTOHMOV-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.57
Rot. Bonds2

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

4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 5301709) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID5301709
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1ccc(F)c2ccccc12)N1CCOc2ccccc21
InChIInChI=1S/C18H14FNO3S/c19-15-9-10-18(14-6-2-1-5-13(14)15)24(21,22)20-11-12-23-17-8-4-3-7-16(17)20/h1-10H,11-12H2
InChIKeyGILINVVCTOHMOV-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 61063626
4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 5301680
2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-5-methylaniline
CID 61113471
4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 154757419
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
10-(4-fluoro-2-methylphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110670791
4-[(2-bromo-4-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 75396063
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639263
6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine
CID 141181124
2-bromo-5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 115328875
8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 22557278

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 5301709) is 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine is O=S(=O)(c1ccc(F)c2ccccc12)N1CCOc2ccccc21.
What is the InChIKey of 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is GILINVVCTOHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-15-9-10-18(14-6-2-1-5-13(14)15)24(21,22)20-11-12-23-17-8-4-3-7-16(17)20/h1-10H,11-12H2.
What are the key properties of 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 343.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 5301709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).