N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide

C20H19N5O2S — CID 113051185

IUPACN-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
SMILESN#Cc1ccccc1Nc1ccc(NS(=O)(=O)CCCc2ccccc2)nn1
InChIInChI=1S/C20H19N5O2S/c21-15-17-10-4-5-11-18(17)22-19-12-13-20(24-23-19)25-28(26,27)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14H2,(H,22,23)(H,24,25)
InChIKeyIZSRXHBMYXYSDC-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.47
Rot. Bonds8

About N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide

N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide (PubChem CID 113051185) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
PubChem CID113051185
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
SMILESN#Cc1ccccc1Nc1ccc(NS(=O)(=O)CCCc2ccccc2)nn1
InChIInChI=1S/C20H19N5O2S/c21-15-17-10-4-5-11-18(17)22-19-12-13-20(24-23-19)25-28(26,27)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14H2,(H,22,23)(H,24,25)
InChIKeyIZSRXHBMYXYSDC-UHFFFAOYSA-N
XLogP3.47
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433
2-(3-phenylpropylamino)benzonitrile
CID 28580856
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113049646
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide (CID 113051185) is N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide is N#Cc1ccccc1Nc1ccc(NS(=O)(=O)CCCc2ccccc2)nn1.
What is the InChIKey of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide?
The InChIKey is IZSRXHBMYXYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c21-15-17-10-4-5-11-18(17)22-19-12-13-20(24-23-19)25-28(26,27)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14H2,(H,22,23)(H,24,25).
What are the key properties of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide?
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113051185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).