6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide

C17H15BrO3S — CID 175820078

IUPAC6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
SMILESBr.CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C17H14O3S.BrH/c1-21(19,20)17-8-5-12(6-9-17)13-2-3-15-11-16(18)7-4-14(15)10-13;/h2-11,18H,1H3;1H
InChIKeyKUWVIQAGKMXTIE-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.19
Rot. Bonds2

About 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide

6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide (PubChem CID 175820078) has the molecular formula C17H15BrO3S and a molecular weight of 379.28 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
PubChem CID175820078
Molecular FormulaC17H15BrO3S
Molecular Weight379.28 g/mol
Exact Mass377.99
IUPAC Name6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
SMILESBr.CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C17H14O3S.BrH/c1-21(19,20)17-8-5-12(6-9-17)13-2-3-15-11-16(18)7-4-14(15)10-13;/h2-11,18H,1H3;1H
InChIKeyKUWVIQAGKMXTIE-UHFFFAOYSA-N
XLogP4.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole
CID 57319325
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
4-(4-methylsulfonylphenyl)-3-phenoxyphenol
CID 139699276
2-methoxy-4-(4-methylsulfonylphenyl)phenol
CID 53221054
formic acid;4-methylsulfonylphenol
CID 175318493
dipotassium;4-methylsulfonylphenol;carbonate
CID 139243111
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide?
The IUPAC name of 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide (CID 175820078) is 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide?
The canonical SMILES for 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide is Br.CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide?
The InChIKey is KUWVIQAGKMXTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S.BrH/c1-21(19,20)17-8-5-12(6-9-17)13-2-3-15-11-16(18)7-4-14(15)10-13;/h2-11,18H,1H3;1H.
What are the key properties of 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide?
6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide has a molecular weight of 379.28 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide is sourced from PubChem (CID 175820078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).