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

C17H16N2O2S — CID 26970591

IUPAC3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C17H16N2O2S/c18-12-13-5-3-8-15(11-13)22(20,21)19-17-10-4-7-14-6-1-2-9-16(14)17/h3-5,7-8,10-11,19H,1-2,6,9H2
InChIKeyXJCWZINKVVLIQI-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.24
Rot. Bonds3

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

3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 26970591) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID26970591
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C17H16N2O2S/c18-12-13-5-3-8-15(11-13)22(20,21)19-17-10-4-7-14-6-1-2-9-16(14)17/h3-5,7-8,10-11,19H,1-2,6,9H2
InChIKeyXJCWZINKVVLIQI-UHFFFAOYSA-N
XLogP3.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 26970591) is 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cccc3c2CCCC3)c1.
What is the InChIKey of 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is XJCWZINKVVLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c18-12-13-5-3-8-15(11-13)22(20,21)19-17-10-4-7-14-6-1-2-9-16(14)17/h3-5,7-8,10-11,19H,1-2,6,9H2.
What are the key properties of 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 26970591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).