5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid

C18H12FNO6S — CID 23456165

IUPAC5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(Nc1cccc2c(O)c(C(=O)O)ccc12)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C18H12FNO6S/c19-27(25,26)11-4-1-3-10(9-11)17(22)20-15-6-2-5-13-12(15)7-8-14(16(13)21)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKeyVCAWGMGNDIDREA-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.15
Rot. Bonds4

About 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid

5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 23456165) has the molecular formula C18H12FNO6S and a molecular weight of 389.36 g/mol. Its IUPAC name is 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID23456165
Molecular FormulaC18H12FNO6S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC Name5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(Nc1cccc2c(O)c(C(=O)O)ccc12)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C18H12FNO6S/c19-27(25,26)11-4-1-3-10(9-11)17(22)20-15-6-2-5-13-12(15)7-8-14(16(13)21)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKeyVCAWGMGNDIDREA-UHFFFAOYSA-N
XLogP3.15
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride
CID 5220396
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
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N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
3-[[5-hydroxy-6-(methylsulfamoyl)naphthalen-1-yl]sulfamoyl]benzenesulfonyl fluoride
CID 57071589
3-[[3-(bromomethyl)phenyl]carbamoyl]benzenesulfonyl fluoride
CID 125468112
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17476450
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid (CID 23456165) is 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid is O=C(Nc1cccc2c(O)c(C(=O)O)ccc12)c1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is VCAWGMGNDIDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO6S/c19-27(25,26)11-4-1-3-10(9-11)17(22)20-15-6-2-5-13-12(15)7-8-14(16(13)21)18(23)24/h1-9,21H,(H,20,22)(H,23,24).
What are the key properties of 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid?
5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 389.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 23456165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).