4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid

C11H11NO6S2 — CID 71330282

IUPAC4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
SMILESCS(=O)(=O)Nc1cccc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C11H11NO6S2/c1-19(14,15)12-9-4-2-3-7-5-8(20(16,17)18)6-10(13)11(7)9/h2-6,12-13H,1H3,(H,16,17,18)
InChIKeyUSGLJFDFJIFVHN-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.16
Rot. Bonds3

About 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid

4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid (PubChem CID 71330282) has the molecular formula C11H11NO6S2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
PubChem CID71330282
Molecular FormulaC11H11NO6S2
Molecular Weight317.34 g/mol
Exact Mass317.00
IUPAC Name4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
SMILESCS(=O)(=O)Nc1cccc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C11H11NO6S2/c1-19(14,15)12-9-4-2-3-7-5-8(20(16,17)18)6-10(13)11(7)9/h2-6,12-13H,1H3,(H,16,17,18)
InChIKeyUSGLJFDFJIFVHN-UHFFFAOYSA-N
XLogP1.16
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
CID 129188390
5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid
CID 18965669
5-hydroxy-4-(methanesulfonamido)naphthalene-1,7-disulfonic acid
CID 19366275
4-hydroxy-5-[[4-[4-[(8-hydroxynaphthalen-1-yl)carbamoyl]phenyl]benzoyl]amino]naphthalene-2-sulfonic acid
CID 170524161
4-(methanesulfonamido)naphthalene-2,7-disulfonic acid
CID 58792546
5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 23348123
5-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57187345
5-(butylsulfamoyl)-4-hydroxynaphthalene-2-sulfonic acid
CID 54193730
Chromotropic acid sodium salt
CID 88518702
4-(ethylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
CID 23320334
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
2-(methanesulfonamido)benzene-1,4-disulfonic acid
CID 89385930

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid (CID 71330282) is 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid is CS(=O)(=O)Nc1cccc2cc(S(=O)(=O)O)cc(O)c12.
What is the InChIKey of 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid?
The InChIKey is USGLJFDFJIFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6S2/c1-19(14,15)12-9-4-2-3-7-5-8(20(16,17)18)6-10(13)11(7)9/h2-6,12-13H,1H3,(H,16,17,18).
What are the key properties of 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid?
4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid has a molecular weight of 317.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid is sourced from PubChem (CID 71330282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).