5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid

C19H16FNO5S — CID 155532593

IUPAC5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12
InChIInChI=1S/C19H16FNO5S/c1-2-26-17-9-10-18(14-6-4-3-5-13(14)17)27(24,25)21-12-7-8-16(20)15(11-12)19(22)23/h3-11,21H,2H2,1H3,(H,22,23)
InChIKeyBUFLQYITZDIRLY-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.88
Rot. Bonds6

About 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid

5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid (PubChem CID 155532593) has the molecular formula C19H16FNO5S and a molecular weight of 389.40 g/mol. Its IUPAC name is 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
PubChem CID155532593
Molecular FormulaC19H16FNO5S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Name5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12
InChIInChI=1S/C19H16FNO5S/c1-2-26-17-9-10-18(14-6-4-3-5-13(14)17)27(24,25)21-12-7-8-16(20)15(11-12)19(22)23/h3-11,21H,2H2,1H3,(H,22,23)
InChIKeyBUFLQYITZDIRLY-UHFFFAOYSA-N
XLogP3.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 155532366
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
CID 56573661
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide
CID 86839542
4-[(4-ethoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 39845076

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid (CID 155532593) is 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid is CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12.
What is the InChIKey of 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid?
The InChIKey is BUFLQYITZDIRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S/c1-2-26-17-9-10-18(14-6-4-3-5-13(14)17)27(24,25)21-12-7-8-16(20)15(11-12)19(22)23/h3-11,21H,2H2,1H3,(H,22,23).
What are the key properties of 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid?
5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid has a molecular weight of 389.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid is sourced from PubChem (CID 155532593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).