2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C17H16FNO4S — CID 23647760

IUPAC2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2c1CCCC2
InChIInChI=1S/C17H16FNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h5-10,19H,1-4H2,(H,20,21)
InChIKeyWQHQOGQLWFIVAO-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.20
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 23647760) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID23647760
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2c1CCCC2
InChIInChI=1S/C17H16FNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h5-10,19H,1-4H2,(H,20,21)
InChIKeyWQHQOGQLWFIVAO-UHFFFAOYSA-N
XLogP3.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 23647760) is 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2c1CCCC2.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is WQHQOGQLWFIVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h5-10,19H,1-4H2,(H,20,21).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 349.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 23647760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).