N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide

C23H19N3O5S — CID 135669369

IUPACN-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2c(c1O)CC=CC2)c1cccc(O)c1
InChIInChI=1S/C23H19N3O5S/c27-16-8-6-7-15(13-16)23(29)25-24-21-14-20(18-11-4-5-12-19(18)22(21)28)26-32(30,31)17-9-2-1-3-10-17/h1-10,13-14,26-28H,11-12H2/b25-24+
InChIKeyPBZHGSJATPMBHY-OCOZRVBESA-N
MW449.49 g/mol
LogP4.48
Rot. Bonds5

About N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide

N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide (PubChem CID 135669369) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
PubChem CID135669369
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC NameN-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2c(c1O)CC=CC2)c1cccc(O)c1
InChIInChI=1S/C23H19N3O5S/c27-16-8-6-7-15(13-16)23(29)25-24-21-14-20(18-11-4-5-12-19(18)22(21)28)26-32(30,31)17-9-2-1-3-10-17/h1-10,13-14,26-28H,11-12H2/b25-24+
InChIKeyPBZHGSJATPMBHY-OCOZRVBESA-N
XLogP4.48
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide
CID 135669410
N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide
CID 135669412
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide
CID 135669390
N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]-1,2-dihydropyridine-4-carboxamide
CID 135669407
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
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-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide?
The IUPAC name of N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide (CID 135669369) is N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide is O=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2c(c1O)CC=CC2)c1cccc(O)c1.
What is the InChIKey of N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide?
The InChIKey is PBZHGSJATPMBHY-OCOZRVBESA-N. The full InChI is InChI=1S/C23H19N3O5S/c27-16-8-6-7-15(13-16)23(29)25-24-21-14-20(18-11-4-5-12-19(18)22(21)28)26-32(30,31)17-9-2-1-3-10-17/h1-10,13-14,26-28H,11-12H2/b25-24+.
What are the key properties of N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide?
N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide has a molecular weight of 449.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide is sourced from PubChem (CID 135669369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).