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

C17H12FNO4S — CID 16778029

IUPAC3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H12FNO4S/c18-13-6-3-7-14(10-13)24(22,23)19-16-9-12-5-2-1-4-11(12)8-15(16)17(20)21/h1-10,19H,(H,20,21)
InChIKeyFLBZFUSDXKWKKF-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.48
Rot. Bonds4

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

3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid (PubChem CID 16778029) has the molecular formula C17H12FNO4S and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
PubChem CID16778029
Molecular FormulaC17H12FNO4S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H12FNO4S/c18-13-6-3-7-14(10-13)24(22,23)19-16-9-12-5-2-1-4-11(12)8-15(16)17(20)21/h1-10,19H,(H,20,21)
InChIKeyFLBZFUSDXKWKKF-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-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16776827
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid (CID 16778029) is 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The InChIKey is FLBZFUSDXKWKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4S/c18-13-6-3-7-14(10-13)24(22,23)19-16-9-12-5-2-1-4-11(12)8-15(16)17(20)21/h1-10,19H,(H,20,21).
What are the key properties of 3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid?
3-[(3-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-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 16778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).