7-acetyl-6-hydroxynaphthalene-2-sulfonamide

C12H11NO4S — CID 142667787

IUPAC7-acetyl-6-hydroxynaphthalene-2-sulfonamide
SMILESCC(=O)c1cc2cc(S(N)(=O)=O)ccc2cc1O
InChIInChI=1S/C12H11NO4S/c1-7(14)11-5-9-4-10(18(13,16)17)3-2-8(9)6-12(11)15/h2-6,15H,1H3,(H2,13,16,17)
InChIKeyHEYZCJSNSWTMMI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.40
Rot. Bonds2

About 7-acetyl-6-hydroxynaphthalene-2-sulfonamide

7-acetyl-6-hydroxynaphthalene-2-sulfonamide (PubChem CID 142667787) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 7-acetyl-6-hydroxynaphthalene-2-sulfonamide.

Molecular Properties

Compound Name7-acetyl-6-hydroxynaphthalene-2-sulfonamide
PubChem CID142667787
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name7-acetyl-6-hydroxynaphthalene-2-sulfonamide
SMILESCC(=O)c1cc2cc(S(N)(=O)=O)ccc2cc1O
InChIInChI=1S/C12H11NO4S/c1-7(14)11-5-9-4-10(18(13,16)17)3-2-8(9)6-12(11)15/h2-6,15H,1H3,(H2,13,16,17)
InChIKeyHEYZCJSNSWTMMI-UHFFFAOYSA-N
XLogP1.40
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxynaphthalene-2,7-disulfonamide
CID 70464253
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
6-propan-2-ylnaphthalene-2-sulfonamide
CID 142387587
benzamide;naphthalene-2-sulfonamide
CID 160825471
1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
CID 57373263
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
5-sulfamoylisoindole-2-carboxylic acid
CID 71089633
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
1-(5-ethylsulfonyl-2-methylphenyl)ethanone
CID 162730827
2-hydroxy-1H-indole-5-sulfonamide
CID 57179622

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-6-hydroxynaphthalene-2-sulfonamide?
The IUPAC name of 7-acetyl-6-hydroxynaphthalene-2-sulfonamide (CID 142667787) is 7-acetyl-6-hydroxynaphthalene-2-sulfonamide.
What is the SMILES notation for 7-acetyl-6-hydroxynaphthalene-2-sulfonamide?
The canonical SMILES for 7-acetyl-6-hydroxynaphthalene-2-sulfonamide is CC(=O)c1cc2cc(S(N)(=O)=O)ccc2cc1O.
What is the InChIKey of 7-acetyl-6-hydroxynaphthalene-2-sulfonamide?
The InChIKey is HEYZCJSNSWTMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-7(14)11-5-9-4-10(18(13,16)17)3-2-8(9)6-12(11)15/h2-6,15H,1H3,(H2,13,16,17).
What are the key properties of 7-acetyl-6-hydroxynaphthalene-2-sulfonamide?
7-acetyl-6-hydroxynaphthalene-2-sulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-6-hydroxynaphthalene-2-sulfonamide is sourced from PubChem (CID 142667787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).