4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide

C18H10ClN5O3S — CID 118009941

IUPAC4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccnnc3)cc2C#N)cc1Cl
InChIInChI=1S/C18H10ClN5O3S/c19-17-8-15(2-1-12(17)9-20)27-18-4-3-16(7-13(18)10-21)28(25,26)24-14-5-6-22-23-11-14/h1-8,11H,(H,22,24)
InChIKeySNZBAAKOOLJSMN-UHFFFAOYSA-N
MW411.83 g/mol
LogP3.47
Rot. Bonds5

About 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide

4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide (PubChem CID 118009941) has the molecular formula C18H10ClN5O3S and a molecular weight of 411.83 g/mol. Its IUPAC name is 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide
PubChem CID118009941
Molecular FormulaC18H10ClN5O3S
Molecular Weight411.83 g/mol
Exact Mass411.02
IUPAC Name4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccnnc3)cc2C#N)cc1Cl
InChIInChI=1S/C18H10ClN5O3S/c19-17-8-15(2-1-12(17)9-20)27-18-4-3-16(7-13(18)10-21)28(25,26)24-14-5-6-22-23-11-14/h1-8,11H,(H,22,24)
InChIKeySNZBAAKOOLJSMN-UHFFFAOYSA-N
XLogP3.47
TPSA128.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 47309988
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
CID 54937392
4-[4-chloro-3-(pyrazol-1-ylmethyl)phenoxy]-3-cyano-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 71718632
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
CID 102990094
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
N-[4-(2-cyano-4-nitrophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 9107537
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004459

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide (CID 118009941) is 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide is N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccnnc3)cc2C#N)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide?
The InChIKey is SNZBAAKOOLJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN5O3S/c19-17-8-15(2-1-12(17)9-20)27-18-4-3-16(7-13(18)10-21)28(25,26)24-14-5-6-22-23-11-14/h1-8,11H,(H,22,24).
What are the key properties of 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide?
4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide has a molecular weight of 411.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-pyridazin-4-ylbenzenesulfonamide is sourced from PubChem (CID 118009941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).