N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H22FNO2S — CID 113091816

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(2,16-8-10-17(20)11-9-16)21-24(22,23)18-12-7-14-5-3-4-6-15(14)13-18/h7-13,21H,3-6H2,1-2H3
InChIKeyQLXPILYPQKVAOX-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113091816) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113091816
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(2,16-8-10-17(20)11-9-16)21-24(22,23)18-12-7-14-5-3-4-6-15(14)13-18/h7-13,21H,3-6H2,1-2H3
InChIKeyQLXPILYPQKVAOX-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 110440972
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114293826
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119981622
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 110446078
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
CID 116855244
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113091816) is N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC(C)(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is QLXPILYPQKVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-19(2,16-8-10-17(20)11-9-16)21-24(22,23)18-12-7-14-5-3-4-6-15(14)13-18/h7-13,21H,3-6H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113091816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).