N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide

C22H17N3O3S — CID 4316942

IUPACN-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccc(O)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C22H17N3O3S/c26-22-15-14-21(19-8-4-5-9-20(19)22)24-23-16-10-12-17(13-11-16)25-29(27,28)18-6-2-1-3-7-18/h1-15,25-26H/b24-23+
InChIKeyNFTGEHUQQIZWGW-WCWDXBQESA-N
MW403.46 g/mol
LogP5.76
Rot. Bonds5

About N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide

N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide (PubChem CID 4316942) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide
PubChem CID4316942
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccc(O)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C22H17N3O3S/c26-22-15-14-21(19-8-4-5-9-20(19)22)24-23-16-10-12-17(13-11-16)25-29(27,28)18-6-2-1-3-7-18/h1-15,25-26H/b24-23+
InChIKeyNFTGEHUQQIZWGW-WCWDXBQESA-N
XLogP5.76
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide 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

Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CID 135513128
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
CID 104703
1-Naphthalenol, 4-(phenylazo)-
CID 77214
Benzenesulfonic acid, 4-(2-(4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)phenyl)diazenyl)-
CID 22908
1-Naphthalenol, 4-(1-naphthalenylazo)-
CID 75860
N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1073704
4-fluoro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073705
4-Hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 137167375
Benzenesulfonic acid, 4-(2-(4-hydroxy-1-naphthalenyl)diazenyl)-
CID 10656
ATG12-ATG3 inhibitor 1
CID 746288
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 746362
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide (CID 4316942) is N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(/N=N/c2ccc(O)c3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide?
The InChIKey is NFTGEHUQQIZWGW-WCWDXBQESA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-22-15-14-21(19-8-4-5-9-20(19)22)24-23-16-10-12-17(13-11-16)25-29(27,28)18-6-2-1-3-7-18/h1-15,25-26H/b24-23+.
What are the key properties of N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide?
N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 4316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).