N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H16F3NO2S — CID 990876

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)24(22,23)21-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,21H,1-2,5,9H2
InChIKeyQHNKUQYURLRWPG-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.39
Rot. Bonds3

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 990876) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID990876
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)24(22,23)21-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,21H,1-2,5,9H2
InChIKeyQHNKUQYURLRWPG-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Laurent acid
CID 6793
1,6-Cleve's acid
CID 8408
Cleve's acid
CID 8386
Peri acid
CID 6722
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
4-methyl-N-(naphthalen-2-yl)benzenesulfonamide
CID 224144
N-(3,4-Dimethylphenyl)-4-fluorobenzenesulfonamide
CID 295161
Sodium naphthionate
CID 23665720
n-(1-Naphthyl)benzenesulfonamide
CID 253799
2',3'-Dimethylbenzenesulfonanilide
CID 295224
4-cyclohexyl-N-(2-methylphenyl)benzenesulfonamide
CID 789353
N-(2-naphthyl)benzenesulfonamide
CID 346543

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 990876) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc2c1CCCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QHNKUQYURLRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-17(19,20)13-7-4-8-14(11-13)24(22,23)21-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,21H,1-2,5,9H2.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 355.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 990876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).