2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

C16H16FNO2S — CID 60639849

IUPAC2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c17-15-7-3-4-8-16(15)21(19,20)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14,18H,9-11H2
InChIKeyMABFWIOMZAXOOA-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.66
Rot. Bonds3

About 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (PubChem CID 60639849) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
PubChem CID60639849
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c17-15-7-3-4-8-16(15)21(19,20)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14,18H,9-11H2
InChIKeyMABFWIOMZAXOOA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (CID 60639849) is 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is O=S(=O)(NC1CCc2ccccc2C1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The InChIKey is MABFWIOMZAXOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-15-7-3-4-8-16(15)21(19,20)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14,18H,9-11H2.
What are the key properties of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 60639849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).