N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide

C21H20N2O5S — CID 26982271

IUPACN'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O5S/c24-21(22-23-29(25,26)20-9-5-2-6-10-20)16-28-19-13-11-18(12-14-19)27-15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,22,24)
InChIKeyCNGDVNJMRBDMSM-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.65
Rot. Bonds9

About N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide

N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide (PubChem CID 26982271) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
PubChem CID26982271
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O5S/c24-21(22-23-29(25,26)20-9-5-2-6-10-20)16-28-19-13-11-18(12-14-19)27-15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,22,24)
InChIKeyCNGDVNJMRBDMSM-UHFFFAOYSA-N
XLogP2.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
phenoxymethylbenzene;sulfuric acid
CID 68982967

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide (CID 26982271) is N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide is O=C(COc1ccc(OCc2ccccc2)cc1)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide?
The InChIKey is CNGDVNJMRBDMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c24-21(22-23-29(25,26)20-9-5-2-6-10-20)16-28-19-13-11-18(12-14-19)27-15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,22,24).
What are the key properties of N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide?
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide has a molecular weight of 412.47 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide is sourced from PubChem (CID 26982271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).