N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide

C26H18N2O6S — CID 2888154

IUPACN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c1
InChIInChI=1S/C26H18N2O6S/c29-24-13-12-16-6-1-2-9-19(16)25(24)22-15-23(20-10-3-4-11-21(20)26(22)30)27-35(33,34)18-8-5-7-17(14-18)28(31)32/h1-15,27,29-30H
InChIKeyYYMPGROLZMJWSX-UHFFFAOYSA-N
MW486.51 g/mol
LogP5.78
Rot. Bonds5

About N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide (PubChem CID 2888154) has the molecular formula C26H18N2O6S and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide
PubChem CID2888154
Molecular FormulaC26H18N2O6S
Molecular Weight486.51 g/mol
Exact Mass486.09
IUPAC NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c1
InChIInChI=1S/C26H18N2O6S/c29-24-13-12-16-6-1-2-9-19(16)25(24)22-15-23(20-10-3-4-11-21(20)26(22)30)27-35(33,34)18-8-5-7-17(14-18)28(31)32/h1-15,27,29-30H
InChIKeyYYMPGROLZMJWSX-UHFFFAOYSA-N
XLogP5.78
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.51
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1324494
CID 1324494
CID 1073704
CID 1073704
CID 1073705
CID 1073705
CID 25073248
CID 25073248
CID 25073558
CID 25073558
CID 57388026
CID 57388026
CID 1073702
CID 1073702
CID 1308751
CID 1308751
CID 25074166
CID 25074166
CID 57384260
CID 57384260
CID 57384261
CID 57384261
CID 57384262
CID 57384262

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide (CID 2888154) is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c1.
What is the InChIKey of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide?
The InChIKey is YYMPGROLZMJWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O6S/c29-24-13-12-16-6-1-2-9-19(16)25(24)22-15-23(20-10-3-4-11-21(20)26(22)30)27-35(33,34)18-8-5-7-17(14-18)28(31)32/h1-15,27,29-30H.
What are the key properties of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide?
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide has a molecular weight of 486.51 g/mol, XLogP of 5.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2888154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).