N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide

C15H12BrN3O4S — CID 2420734

IUPACN'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H12BrN3O4S/c16-12-3-7-14(8-4-12)24(21,22)19-18-15(20)10-23-13-5-1-11(9-17)2-6-13/h1-8,19H,10H2,(H,18,20)
InChIKeyPFVDQGLFKIINKP-UHFFFAOYSA-N
MW410.25 g/mol
LogP1.71
Rot. Bonds6

About N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide

N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide (PubChem CID 2420734) has the molecular formula C15H12BrN3O4S and a molecular weight of 410.25 g/mol. Its IUPAC name is N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
PubChem CID2420734
Molecular FormulaC15H12BrN3O4S
Molecular Weight410.25 g/mol
Exact Mass408.97
IUPAC NameN'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H12BrN3O4S/c16-12-3-7-14(8-4-12)24(21,22)19-18-15(20)10-23-13-5-1-11(9-17)2-6-13/h1-8,19H,10H2,(H,18,20)
InChIKeyPFVDQGLFKIINKP-UHFFFAOYSA-N
XLogP1.71
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 51.71
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

2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8614297
2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8614315
2-(4-bromophenoxy)-N-[(4-cyanophenyl)carbamothioyl]acetamide
CID 3340919
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 8614364
N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614258
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide?
The IUPAC name of N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide (CID 2420734) is N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide?
The canonical SMILES for N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide is N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide?
The InChIKey is PFVDQGLFKIINKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O4S/c16-12-3-7-14(8-4-12)24(21,22)19-18-15(20)10-23-13-5-1-11(9-17)2-6-13/h1-8,19H,10H2,(H,18,20).
What are the key properties of N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide?
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide has a molecular weight of 410.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide is sourced from PubChem (CID 2420734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).