N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide

C19H17N3O3S — CID 4108494

IUPACN-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H17N3O3S/c1-14-2-12-19(13-3-14)26(24,25)22-17-6-4-15(5-7-17)20-21-16-8-10-18(23)11-9-16/h2-13,22-23H,1H3/b21-20+
InChIKeyHYRBPEPJMDRFKR-QZQOTICOSA-N
MW367.43 g/mol
LogP4.92
Rot. Bonds5

About N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide

N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 4108494) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID4108494
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H17N3O3S/c1-14-2-12-19(13-3-14)26(24,25)22-17-6-4-15(5-7-17)20-21-16-8-10-18(23)11-9-16/h2-13,22-23H,1H3/b21-20+
InChIKeyHYRBPEPJMDRFKR-QZQOTICOSA-N
XLogP4.92
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.92
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'}

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Related Compounds

N-(4-hydroxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 754032
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 846970
N-(2-hydroxyphenyl)-4-biphenylsulfonamide
CID 893823
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
2-[(4-Methylphenyl)sulfonyl]-4-{[(4-methylphenyl)sulfonyl]amino}phenol
CID 1271426
N-[3-[(3-hydroxyphenyl)methylamino]propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 44532007
N-(4-hydroxyphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 1099250
N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 702202
4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 846945
Benzene sulfonamide derivative 8
CID 894213
4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4671033
4-tert-butyl-N-(2-hydroxyphenyl)benzenesulfonamide
CID 6459034

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide (CID 4108494) is N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HYRBPEPJMDRFKR-QZQOTICOSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-14-2-12-19(13-3-14)26(24,25)22-17-6-4-15(5-7-17)20-21-16-8-10-18(23)11-9-16/h2-13,22-23H,1H3/b21-20+.
What are the key properties of N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxyphenyl)diazenyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4108494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).