3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide

C24H20N4O4S — CID 3463382

IUPAC3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(/N=N/C(=O)c3cccc(N)c3)c(O)c3ccccc23)cc1
InChIInChI=1S/C24H20N4O4S/c1-15-9-11-18(12-10-15)33(31,32)28-21-14-22(23(29)20-8-3-2-7-19(20)21)26-27-24(30)16-5-4-6-17(25)13-16/h2-14,28-29H,25H2,1H3/b27-26+
InChIKeyDQVWLWGXYIBJGL-CYYJNZCTSA-N
MW460.52 g/mol
LogP5.16
Rot. Bonds5

About 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide

3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide (PubChem CID 3463382) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide.

Molecular Properties

Compound Name3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
PubChem CID3463382
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(/N=N/C(=O)c3cccc(N)c3)c(O)c3ccccc23)cc1
InChIInChI=1S/C24H20N4O4S/c1-15-9-11-18(12-10-15)33(31,32)28-21-14-22(23(29)20-8-3-2-7-19(20)21)26-27-24(30)16-5-4-6-17(25)13-16/h2-14,28-29H,25H2,1H3/b27-26+
InChIKeyDQVWLWGXYIBJGL-CYYJNZCTSA-N
XLogP5.16
TPSA134.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 55.16
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
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-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
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-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501
3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide
CID 135669410
N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
(2S)-2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate
CID 7720329
2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 1184112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide?
The IUPAC name of 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide (CID 3463382) is 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide.
What is the SMILES notation for 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide?
The canonical SMILES for 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide is Cc1ccc(S(=O)(=O)Nc2cc(/N=N/C(=O)c3cccc(N)c3)c(O)c3ccccc23)cc1.
What is the InChIKey of 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide?
The InChIKey is DQVWLWGXYIBJGL-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-15-9-11-18(12-10-15)33(31,32)28-21-14-22(23(29)20-8-3-2-7-19(20)21)26-27-24(30)16-5-4-6-17(25)13-16/h2-14,28-29H,25H2,1H3/b27-26+.
What are the key properties of 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide?
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide has a molecular weight of 460.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide is sourced from PubChem (CID 3463382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).