8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

C14H10BrClFNO3S — CID 22557278

IUPAC8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1ccccc1F)N1CCOc2c(Br)cc(Cl)cc21
InChIInChI=1S/C14H10BrClFNO3S/c15-10-7-9(16)8-12-14(10)21-6-5-18(12)22(19,20)13-4-2-1-3-11(13)17/h1-4,7-8H,5-6H2
InChIKeyOTXIMMWCVOCIQK-UHFFFAOYSA-N
MW406.66 g/mol
LogP3.83
Rot. Bonds2

About 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 22557278) has the molecular formula C14H10BrClFNO3S and a molecular weight of 406.66 g/mol. Its IUPAC name is 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID22557278
Molecular FormulaC14H10BrClFNO3S
Molecular Weight406.66 g/mol
Exact Mass404.92
IUPAC Name8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1ccccc1F)N1CCOc2c(Br)cc(Cl)cc21
InChIInChI=1S/C14H10BrClFNO3S/c15-10-7-9(16)8-12-14(10)21-6-5-18(12)22(19,20)13-4-2-1-3-11(13)17/h1-4,7-8H,5-6H2
InChIKeyOTXIMMWCVOCIQK-UHFFFAOYSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 22557278) is 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine is O=S(=O)(c1ccccc1F)N1CCOc2c(Br)cc(Cl)cc21.
What is the InChIKey of 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is OTXIMMWCVOCIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO3S/c15-10-7-9(16)8-12-14(10)21-6-5-18(12)22(19,20)13-4-2-1-3-11(13)17/h1-4,7-8H,5-6H2.
What are the key properties of 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 406.66 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-4-(2-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 22557278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).