7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene

C16H12BrFO2S — CID 122675896

IUPAC7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene
SMILESO=S(=O)(C1=CCCc2cc(Br)ccc21)c1cccc(F)c1
InChIInChI=1S/C16H12BrFO2S/c17-12-7-8-15-11(9-12)3-1-6-16(15)21(19,20)14-5-2-4-13(18)10-14/h2,4-10H,1,3H2
InChIKeyYWUVWCUCCXFHPU-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.35
Rot. Bonds2

About 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene

7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene (PubChem CID 122675896) has the molecular formula C16H12BrFO2S and a molecular weight of 367.24 g/mol. Its IUPAC name is 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene
PubChem CID122675896
Molecular FormulaC16H12BrFO2S
Molecular Weight367.24 g/mol
Exact Mass365.97
IUPAC Name7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene
SMILESO=S(=O)(C1=CCCc2cc(Br)ccc21)c1cccc(F)c1
InChIInChI=1S/C16H12BrFO2S/c17-12-7-8-15-11(9-12)3-1-6-16(15)21(19,20)14-5-2-4-13(18)10-14/h2,4-10H,1,3H2
InChIKeyYWUVWCUCCXFHPU-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122675895
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(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride
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6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589767
6-bromo-2-(3-fluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
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3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene?
The IUPAC name of 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene (CID 122675896) is 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene is O=S(=O)(C1=CCCc2cc(Br)ccc21)c1cccc(F)c1.
What is the InChIKey of 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene?
The InChIKey is YWUVWCUCCXFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2S/c17-12-7-8-15-11(9-12)3-1-6-16(15)21(19,20)14-5-2-4-13(18)10-14/h2,4-10H,1,3H2.
What are the key properties of 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene?
7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene has a molecular weight of 367.24 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene is sourced from PubChem (CID 122675896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).