[(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid

C11H11NO4S — CID 141075800

IUPAC[(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid
SMILESO=S(=O)(O)CNc1ccc2c(O)cccc2c1
InChIInChI=1S/C11H11NO4S/c13-11-3-1-2-8-6-9(4-5-10(8)11)12-7-17(14,15)16/h1-6,12-13H,7H2,(H,14,15,16)
InChIKeyVKJXVDUGXXGLGV-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.80
Rot. Bonds3

About [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid

[(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid (PubChem CID 141075800) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid.

Molecular Properties

Compound Name[(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid
PubChem CID141075800
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name[(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid
SMILESO=S(=O)(O)CNc1ccc2c(O)cccc2c1
InChIInChI=1S/C11H11NO4S/c13-11-3-1-2-8-6-9(4-5-10(8)11)12-7-17(14,15)16/h1-6,12-13H,7H2,(H,14,15,16)
InChIKeyVKJXVDUGXXGLGV-UHFFFAOYSA-N
XLogP1.80
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid 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

N-(5-hydroxynaphthalen-2-yl)propanamide
CID 137348573
methanesulfonic acid;phenanthren-1-ol
CID 175029052
4-(3-aminoanilino)-3-[(5-hydroxynaphthalen-2-yl)amino]benzene-1,2-disulfonic acid
CID 57228552
(4-aminoanilino)methanesulfonic acid
CID 12631177
5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide
CID 10150268
7-[(2-chlorophenyl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
CID 155589443
1-(2-aminoanilino)-2-anilino-1-[(5-hydroxynaphthalen-2-yl)amino]-2-oxoethanesulfonic acid
CID 57040803
sodium (4-phenyldiazenylanilino)methanesulfonic acid
CID 54606161
3-[(6-hydroxynaphthalen-1-yl)amino]propane-1-sulfonic acid
CID 102034605
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
6-(ethylamino)naphthalene-1,3-disulfonic acid
CID 139646524
7-[(4-fluorophenyl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
CID 155589449

Frequently Asked Questions

What is the IUPAC name of [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid?
The IUPAC name of [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid (CID 141075800) is [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid.
What is the SMILES notation for [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid?
The canonical SMILES for [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid is O=S(=O)(O)CNc1ccc2c(O)cccc2c1.
What is the InChIKey of [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid?
The InChIKey is VKJXVDUGXXGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c13-11-3-1-2-8-6-9(4-5-10(8)11)12-7-17(14,15)16/h1-6,12-13H,7H2,(H,14,15,16).
What are the key properties of [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid?
[(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid has a molecular weight of 253.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-hydroxynaphthalen-2-yl)amino]methanesulfonic acid is sourced from PubChem (CID 141075800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).