4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid

C18H15NO4S — CID 145232956

IUPAC4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)NCc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C18H15NO4S/c20-17-14-9-5-4-8-13(14)16(10-15(17)18(21)22)24(23)19-11-12-6-2-1-3-7-12/h1-10,19-20H,11H2,(H,21,22)
InChIKeyZCDZQORXYFQXAY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.06
Rot. Bonds5

About 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid

4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 145232956) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID145232956
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)NCc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C18H15NO4S/c20-17-14-9-5-4-8-13(14)16(10-15(17)18(21)22)24(23)19-11-12-6-2-1-3-7-12/h1-10,19-20H,11H2,(H,21,22)
InChIKeyZCDZQORXYFQXAY-UHFFFAOYSA-N
XLogP3.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 110483824
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
CID 23464074
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
4-[[3-(dihydroxymethyl)-4-hydroxynaphthalen-1-yl]methyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 18684440
1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
CID 136679288

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid (CID 145232956) is 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)NCc2ccccc2)c2ccccc2c1O.
What is the InChIKey of 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is ZCDZQORXYFQXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c20-17-14-9-5-4-8-13(14)16(10-15(17)18(21)22)24(23)19-11-12-6-2-1-3-7-12/h1-10,19-20H,11H2,(H,21,22).
What are the key properties of 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid?
4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfinamoyl-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 145232956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).