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

C16H16FNO2S — CID 3391096

IUPAC3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2S/c17-13-7-4-8-14(11-13)21(19,20)18-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,18H,1-2,5,9H2
InChIKeyBHOLNFQXTCILLZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.51
Rot. Bonds3

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

3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 3391096) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID3391096
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2S/c17-13-7-4-8-14(11-13)21(19,20)18-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,18H,1-2,5,9H2
InChIKeyBHOLNFQXTCILLZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
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-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)chromene-6-sulfonamide
CID 55544360
5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
CID 107522514
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
CID 114491132
4-[(4-fluorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18278956

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 3391096) is 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2c1CCCC2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is BHOLNFQXTCILLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-13-7-4-8-14(11-13)21(19,20)18-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11,18H,1-2,5,9H2.
What are the key properties of 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 3391096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).