1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide

C18H15NO4S — CID 59136445

IUPAC1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H15NO4S/c1-24(22,23)14-9-7-13(8-10-14)19-18(21)16-11-6-12-4-2-3-5-15(12)17(16)20/h2-11,20H,1H3,(H,19,21)
InChIKeyVBDYOPMZKQMAPM-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.20
Rot. Bonds3

About 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide

1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide (PubChem CID 59136445) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
PubChem CID59136445
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H15NO4S/c1-24(22,23)14-9-7-13(8-10-14)19-18(21)16-11-6-12-4-2-3-5-15(12)17(16)20/h2-11,20H,1H3,(H,19,21)
InChIKeyVBDYOPMZKQMAPM-UHFFFAOYSA-N
XLogP3.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
sodium 5-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-[(Z)-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 54611291
4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide (CID 59136445) is 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
The InChIKey is VBDYOPMZKQMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-24(22,23)14-9-7-13(8-10-14)19-18(21)16-11-6-12-4-2-3-5-15(12)17(16)20/h2-11,20H,1H3,(H,19,21).
What are the key properties of 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 59136445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).