2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid

C17H12FNO4S — CID 10427648

IUPAC2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C17H12FNO4S/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/h1-10,19H,(H,20,21)
InChIKeyKIYWIXCUCALPGQ-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.48
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid

2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid (PubChem CID 10427648) has the molecular formula C17H12FNO4S and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
PubChem CID10427648
Molecular FormulaC17H12FNO4S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C17H12FNO4S/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/h1-10,19H,(H,20,21)
InChIKeyKIYWIXCUCALPGQ-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

2-((2-Naphthalenylsulfonyl)amino)benzoic acid
CID 4798771
5-Methyl-2-((phenylsulfonyl)amino)benzoic acid
CID 6102684
2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 6102685
2-(((2-((1Z)-3-(Dimethylamino)prop-1-enyl)-4-fluorophenyl)sulfonyl)amino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 6102686
3-Ethyl-6-(((4-fluorophenyl)sulfonyl)amino)-2-methylbenzoic acid
CID 23647763
5,6-Disubstituted anthranilic acid sulfonamide, 9o
CID 10245616
Benzoic acid, 5-ethyl-2-[(phenylsulfonyl)amino]-
CID 10402833
Anthranilic Acid Sulfonamide, 28a
CID 11503191
Anthranilic Acid Sulfonamide, 28c
CID 11510884
Anthranilic Acid Sulfonamide, 28d
CID 11511194
(Z)-2-((2-(3-(Diethylamino)prop-1-en-1-yl)-4-fluorophenyl)sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 11539865
Anthranilic Acid Sulfonamide, 25c
CID 11561873

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid (CID 10427648) is 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The InChIKey is KIYWIXCUCALPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4S/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/h1-10,19H,(H,20,21).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-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 2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 10427648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).