6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C18H18FNO3S — CID 135309886

IUPAC6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCCc2cc(F)ccc21
InChIInChI=1S/C18H18FNO3S/c1-12-5-2-3-8-17(12)24(22,23)20-18(21)16-7-4-6-13-11-14(19)9-10-15(13)16/h2-3,5,8-11,16H,4,6-7H2,1H3,(H,20,21)
InChIKeyIZLPUIYWWJDVCT-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.06
Rot. Bonds3

About 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 135309886) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID135309886
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCCc2cc(F)ccc21
InChIInChI=1S/C18H18FNO3S/c1-12-5-2-3-8-17(12)24(22,23)20-18(21)16-7-4-6-13-11-14(19)9-10-15(13)16/h2-3,5,8-11,16H,4,6-7H2,1H3,(H,20,21)
InChIKeyIZLPUIYWWJDVCT-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 135309886) is 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)C1CCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is IZLPUIYWWJDVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-12-5-2-3-8-17(12)24(22,23)20-18(21)16-7-4-6-13-11-14(19)9-10-15(13)16/h2-3,5,8-11,16H,4,6-7H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 135309886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).