N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H22FNO3S — CID 73168443

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1
InChIInChI=1S/C19H22FNO3S/c1-24-19(16-7-4-8-17(20)11-16)13-21-25(22,23)18-10-9-14-5-2-3-6-15(14)12-18/h4,7-12,19,21H,2-3,5-6,13H2,1H3
InChIKeyKJFHBXVZGQXUNA-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 73168443) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID73168443
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1
InChIInChI=1S/C19H22FNO3S/c1-24-19(16-7-4-8-17(20)11-16)13-21-25(22,23)18-10-9-14-5-2-3-6-15(14)12-18/h4,7-12,19,21H,2-3,5-6,13H2,1H3
InChIKeyKJFHBXVZGQXUNA-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 73168443) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COC(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KJFHBXVZGQXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-24-19(16-7-4-8-17(20)11-16)13-21-25(22,23)18-10-9-14-5-2-3-6-15(14)12-18/h4,7-12,19,21H,2-3,5-6,13H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 73168443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).