7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid

C17H15NO6S2 — CID 88702310

IUPAC7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid
SMILESCc1ccccc1NS(=O)(=O)c1cc2ccc(S(=O)(=O)O)cc2cc1O
InChIInChI=1S/C17H15NO6S2/c1-11-4-2-3-5-15(11)18-25(20,21)17-10-12-6-7-14(26(22,23)24)8-13(12)9-16(17)19/h2-10,18-19H,1H3,(H,22,23,24)
InChIKeyVBRXFPVMZWSFML-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.90
Rot. Bonds4

About 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid

7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid (PubChem CID 88702310) has the molecular formula C17H15NO6S2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid
PubChem CID88702310
Molecular FormulaC17H15NO6S2
Molecular Weight393.44 g/mol
Exact Mass393.03
IUPAC Name7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid
SMILESCc1ccccc1NS(=O)(=O)c1cc2ccc(S(=O)(=O)O)cc2cc1O
InChIInChI=1S/C17H15NO6S2/c1-11-4-2-3-5-15(11)18-25(20,21)17-10-12-6-7-14(26(22,23)24)8-13(12)9-16(17)19/h2-10,18-19H,1H3,(H,22,23,24)
InChIKeyVBRXFPVMZWSFML-UHFFFAOYSA-N
XLogP2.90
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.90
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

N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
6-methyl-7-(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid
CID 21363114
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
naphthalene-2,3,6-trisulfonic acid
CID 42609669
CID 87246277
CID 87246277
tetracene-2-sulfonic acid
CID 21483873
3-hydroxy-6-[5-[[3-[(7-hydroxy-6-sulfonaphthalen-2-yl)amino]-4-methylphenyl]sulfonylcarbamoylsulfamoyl]-2-methylanilino]naphthalene-2-sulfonic acid
CID 88674179
4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
CID 86634478
4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
CID 129188390
naphthalene-2-sulfonic acid
CID 8420

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid?
The IUPAC name of 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid (CID 88702310) is 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid is Cc1ccccc1NS(=O)(=O)c1cc2ccc(S(=O)(=O)O)cc2cc1O.
What is the InChIKey of 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid?
The InChIKey is VBRXFPVMZWSFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S2/c1-11-4-2-3-5-15(11)18-25(20,21)17-10-12-6-7-14(26(22,23)24)8-13(12)9-16(17)19/h2-10,18-19H,1H3,(H,22,23,24).
What are the key properties of 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid?
7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid has a molecular weight of 393.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 88702310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).