3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid

C17H12FNO4S — CID 16776827

IUPAC3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H12FNO4S/c18-14-7-3-4-8-16(14)24(22,23)19-15-10-12-6-2-1-5-11(12)9-13(15)17(20)21/h1-10,19H,(H,20,21)
InChIKeyCKEYWRGMESVIJO-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.48
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid

3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid (PubChem CID 16776827) has the molecular formula C17H12FNO4S and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
PubChem CID16776827
Molecular FormulaC17H12FNO4S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H12FNO4S/c18-14-7-3-4-8-16(14)24(22,23)19-15-10-12-6-2-1-5-11(12)9-13(15)17(20)21/h1-10,19H,(H,20,21)
InChIKeyCKEYWRGMESVIJO-UHFFFAOYSA-N
XLogP3.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
CID 16773625
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
5-[(2-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43474985
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid (CID 16776827) is 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The InChIKey is CKEYWRGMESVIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4S/c18-14-7-3-4-8-16(14)24(22,23)19-15-10-12-6-2-1-5-11(12)9-13(15)17(20)21/h1-10,19H,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 16776827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).