4-(4-methylphenoxy)benzenesulfonohydrazide

C13H14N2O3S — CID 90979703

IUPAC4-(4-methylphenoxy)benzenesulfonohydrazide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C13H14N2O3S/c1-10-2-4-11(5-3-10)18-12-6-8-13(9-7-12)19(16,17)15-14/h2-9,15H,14H2,1H3
InChIKeyBMNNOHQSZLGKPZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.94
Rot. Bonds4

About 4-(4-methylphenoxy)benzenesulfonohydrazide

4-(4-methylphenoxy)benzenesulfonohydrazide (PubChem CID 90979703) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(4-methylphenoxy)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-(4-methylphenoxy)benzenesulfonohydrazide
PubChem CID90979703
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-(4-methylphenoxy)benzenesulfonohydrazide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C13H14N2O3S/c1-10-2-4-11(5-3-10)18-12-6-8-13(9-7-12)19(16,17)15-14/h2-9,15H,14H2,1H3
InChIKeyBMNNOHQSZLGKPZ-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzenesulfonohydrazide
CID 15303
methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane
CID 142802622
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)benzenesulfonohydrazide?
The IUPAC name of 4-(4-methylphenoxy)benzenesulfonohydrazide (CID 90979703) is 4-(4-methylphenoxy)benzenesulfonohydrazide.
What is the SMILES notation for 4-(4-methylphenoxy)benzenesulfonohydrazide?
The canonical SMILES for 4-(4-methylphenoxy)benzenesulfonohydrazide is Cc1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)benzenesulfonohydrazide?
The InChIKey is BMNNOHQSZLGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-2-4-11(5-3-10)18-12-6-8-13(9-7-12)19(16,17)15-14/h2-9,15H,14H2,1H3.
What are the key properties of 4-(4-methylphenoxy)benzenesulfonohydrazide?
4-(4-methylphenoxy)benzenesulfonohydrazide has a molecular weight of 278.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)benzenesulfonohydrazide is sourced from PubChem (CID 90979703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).