N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide

C17H17N3O4S — CID 8614258

IUPACN'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc1C
InChIInChI=1S/C17H17N3O4S/c1-12-6-7-15(8-13(12)2)24-11-17(21)19-20-25(22,23)16-5-3-4-14(9-16)10-18/h3-9,20H,11H2,1-2H3,(H,19,21)
InChIKeyDTQZCWRMTBXXBX-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.56
Rot. Bonds6

About N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide

N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide (PubChem CID 8614258) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
PubChem CID8614258
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc1C
InChIInChI=1S/C17H17N3O4S/c1-12-6-7-15(8-13(12)2)24-11-17(21)19-20-25(22,23)16-5-3-4-14(9-16)10-18/h3-9,20H,11H2,1-2H3,(H,19,21)
InChIKeyDTQZCWRMTBXXBX-UHFFFAOYSA-N
XLogP1.56
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.56
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-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
CID 8500499
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614236
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
The IUPAC name of N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide (CID 8614258) is N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
The canonical SMILES for N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide is Cc1ccc(OCC(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc1C.
What is the InChIKey of N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
The InChIKey is DTQZCWRMTBXXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-6-7-15(8-13(12)2)24-11-17(21)19-20-25(22,23)16-5-3-4-14(9-16)10-18/h3-9,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide has a molecular weight of 359.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 8614258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).