N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide

C24H19N3O5S — CID 5089172

IUPACN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C24H19N3O5S/c1-32-22-14-8-7-13-19(22)24(29)26-25-21-15-20(17-11-5-6-12-18(17)23(21)28)27-33(30,31)16-9-3-2-4-10-16/h2-15,27-28H,1H3/b26-25+
InChIKeyMZUJLBULKDBDPG-OCEACIFDSA-N
MW461.50 g/mol
LogP5.28
Rot. Bonds6

About N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide

N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide (PubChem CID 5089172) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
PubChem CID5089172
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC NameN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C24H19N3O5S/c1-32-22-14-8-7-13-19(22)24(29)26-25-21-15-20(17-11-5-6-12-18(17)23(21)28)27-33(30,31)16-9-3-2-4-10-16/h2-15,27-28H,1H3/b26-25+
InChIKeyMZUJLBULKDBDPG-OCEACIFDSA-N
XLogP5.28
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.50
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
CID 5089354
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
2,3-dimethoxy-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 100530709

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide?
The IUPAC name of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide (CID 5089172) is N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide is COc1ccccc1C(=O)/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O.
What is the InChIKey of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide?
The InChIKey is MZUJLBULKDBDPG-OCEACIFDSA-N. The full InChI is InChI=1S/C24H19N3O5S/c1-32-22-14-8-7-13-19(22)24(29)26-25-21-15-20(17-11-5-6-12-18(17)23(21)28)27-33(30,31)16-9-3-2-4-10-16/h2-15,27-28H,1H3/b26-25+.
What are the key properties of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide?
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide has a molecular weight of 461.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide is sourced from PubChem (CID 5089172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).