4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid

C17H15NO6S2 — CID 129188390

IUPAC4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)cc1
InChIInChI=1S/C17H15NO6S2/c1-11-5-7-13(8-6-11)25(20,21)18-15-4-2-3-12-9-14(26(22,23)24)10-16(19)17(12)15/h2-10,18-19H,1H3,(H,22,23,24)
InChIKeyQMEOTVGXDSDPEZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.90
Rot. Bonds4

About 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid

4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid (PubChem CID 129188390) has the molecular formula C17H15NO6S2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
PubChem CID129188390
Molecular FormulaC17H15NO6S2
Molecular Weight393.44 g/mol
Exact Mass393.03
IUPAC Name4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)cc1
InChIInChI=1S/C17H15NO6S2/c1-11-5-7-13(8-6-11)25(20,21)18-15-4-2-3-12-9-14(26(22,23)24)10-16(19)17(12)15/h2-10,18-19H,1H3,(H,22,23,24)
InChIKeyQMEOTVGXDSDPEZ-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

4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
CID 71330282
5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid
CID 18965669
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
5-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57187345
4-hydroxy-5-[[4-[4-[(8-hydroxynaphthalen-1-yl)carbamoyl]phenyl]benzoyl]amino]naphthalene-2-sulfonic acid
CID 170524161
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
6-amino-4-hydroxy-5-[[4-[(4-methyl-2-sulfophenyl)sulfamoyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 3023377
4-(benzenesulfonamido)-5-hydroxynaphthalene-1,7-disulfonic acid
CID 19366271
N-(8-hydroxyquinolin-3-yl)-4-methylbenzenesulfonamide
CID 22674101
5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 23348123
4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid (CID 129188390) is 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid is Cc1ccc(S(=O)(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)cc1.
What is the InChIKey of 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
The InChIKey is QMEOTVGXDSDPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S2/c1-11-5-7-13(8-6-11)25(20,21)18-15-4-2-3-12-9-14(26(22,23)24)10-16(19)17(12)15/h2-10,18-19H,1H3,(H,22,23,24).
What are the key properties of 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
4-hydroxy-5-[(4-methylphenyl)sulfonylamino]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 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid is sourced from PubChem (CID 129188390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).