3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

C16H15F2NO2S — CID 3832524

IUPAC3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO2S/c17-14-9-8-12(10-15(14)18)22(20,21)19-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10,19H,1-2,4,6H2
InChIKeyMJSHGLQLDJMUMZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.64
Rot. Bonds3

About 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 3832524) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID3832524
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO2S/c17-14-9-8-12(10-15(14)18)22(20,21)19-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10,19H,1-2,4,6H2
InChIKeyMJSHGLQLDJMUMZ-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)chromene-6-sulfonamide
CID 55544360
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
CID 107522514
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 75526090
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
3,4-difluoro-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide
CID 31046200

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 3832524) is 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is MJSHGLQLDJMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-14-9-8-12(10-15(14)18)22(20,21)19-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10,19H,1-2,4,6H2.
What are the key properties of 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 323.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 3832524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).