N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide

C18H14FNO2S — CID 18125849

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccccc1F
InChIInChI=1S/C18H14FNO2S/c19-15-6-1-2-7-17(15)23(21,22)20-16-11-10-13-9-8-12-4-3-5-14(16)18(12)13/h1-7,10-11,20H,8-9H2
InChIKeyQOGRLXYLJPGRHF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.88
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide (PubChem CID 18125849) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide
PubChem CID18125849
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccccc1F
InChIInChI=1S/C18H14FNO2S/c19-15-6-1-2-7-17(15)23(21,22)20-16-11-10-13-9-8-12-4-3-5-14(16)18(12)13/h1-7,10-11,20H,8-9H2
InChIKeyQOGRLXYLJPGRHF-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820567
4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
CID 51284207
N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 35951350
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide
CID 18272105
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 1301177
N-(9H-fluoren-3-yl)-2-fluorobenzenesulfonamide
CID 8516716
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
methyl 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 112822553
N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide
CID 21210486
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide (CID 18125849) is N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccccc1F.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide?
The InChIKey is QOGRLXYLJPGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-15-6-1-2-7-17(15)23(21,22)20-16-11-10-13-9-8-12-4-3-5-14(16)18(12)13/h1-7,10-11,20H,8-9H2.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 18125849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).