3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide

C24H21N3O6S — CID 135669410

IUPAC3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(/N=N/C(=O)c3cc(O)cc(O)c3)c(O)c3c2CC=CC3)cc1
InChIInChI=1S/C24H21N3O6S/c1-14-6-8-18(9-7-14)34(32,33)27-21-13-22(23(30)20-5-3-2-4-19(20)21)25-26-24(31)15-10-16(28)12-17(29)11-15/h2-3,6-13,27-30H,4-5H2,1H3/b26-25+
InChIKeyBNJOOWZMGRNZGQ-OCEACIFDSA-N
MW479.51 g/mol
LogP4.49
Rot. Bonds5

About 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide

3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide (PubChem CID 135669410) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide
PubChem CID135669410
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(/N=N/C(=O)c3cc(O)cc(O)c3)c(O)c3c2CC=CC3)cc1
InChIInChI=1S/C24H21N3O6S/c1-14-6-8-18(9-7-14)34(32,33)27-21-13-22(23(30)20-5-3-2-4-19(20)21)25-26-24(31)15-10-16(28)12-17(29)11-15/h2-3,6-13,27-30H,4-5H2,1H3/b26-25+
InChIKeyBNJOOWZMGRNZGQ-OCEACIFDSA-N
XLogP4.49
TPSA148.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]-1,2-dihydropyridine-4-carboxamide
CID 135669407
N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide
CID 135669412
N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide
CID 135669390
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
3-fluoro-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373067
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 11450307

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide (CID 135669410) is 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(/N=N/C(=O)c3cc(O)cc(O)c3)c(O)c3c2CC=CC3)cc1.
What is the InChIKey of 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide?
The InChIKey is BNJOOWZMGRNZGQ-OCEACIFDSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-14-6-8-18(9-7-14)34(32,33)27-21-13-22(23(30)20-5-3-2-4-19(20)21)25-26-24(31)15-10-16(28)12-17(29)11-15/h2-3,6-13,27-30H,4-5H2,1H3/b26-25+.
What are the key properties of 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide?
3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide has a molecular weight of 479.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide is sourced from PubChem (CID 135669410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).