N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide

C23H16ClN3O6S — CID 3478501

IUPACN-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O)c1ccc(O)cc1O
InChIInChI=1S/C23H16ClN3O6S/c24-13-5-8-15(9-6-13)34(32,33)27-19-12-20(22(30)17-4-2-1-3-16(17)19)25-26-23(31)18-10-7-14(28)11-21(18)29/h1-12,27-30H/b26-25+
InChIKeyAYNBFYHEAVTKMN-OCEACIFDSA-N
MW497.92 g/mol
LogP5.33
Rot. Bonds5

About N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide

N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide (PubChem CID 3478501) has the molecular formula C23H16ClN3O6S and a molecular weight of 497.92 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
PubChem CID3478501
Molecular FormulaC23H16ClN3O6S
Molecular Weight497.92 g/mol
Exact Mass497.04
IUPAC NameN-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O)c1ccc(O)cc1O
InChIInChI=1S/C23H16ClN3O6S/c24-13-5-8-15(9-6-13)34(32,33)27-19-12-20(22(30)17-4-2-1-3-16(17)19)25-26-23(31)18-10-7-14(28)11-21(18)29/h1-12,27-30H/b26-25+
InChIKeyAYNBFYHEAVTKMN-OCEACIFDSA-N
XLogP5.33
TPSA148.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.92
LogP ≤ 55.33
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'}

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Related Compounds

N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
CID 5089354
N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]-3-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]naphthalen-1-yl]benzenesulfonamide
CID 6215666
2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 1309516
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
CID 808082

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide (CID 3478501) is N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide is O=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O)c1ccc(O)cc1O.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide?
The InChIKey is AYNBFYHEAVTKMN-OCEACIFDSA-N. The full InChI is InChI=1S/C23H16ClN3O6S/c24-13-5-8-15(9-6-13)34(32,33)27-19-12-20(22(30)17-4-2-1-3-16(17)19)25-26-23(31)18-10-7-14(28)11-21(18)29/h1-12,27-30H/b26-25+.
What are the key properties of N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide?
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide has a molecular weight of 497.92 g/mol, XLogP of 5.33, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide is sourced from PubChem (CID 3478501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).