3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile

C17H10ClN3S — CID 6404488

IUPAC3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H10ClN3S/c18-14-6-8-15(9-7-14)22-17-13(11-19)10-16(20-21-17)12-4-2-1-3-5-12/h1-10H
InChIKeyNXCOSEVTWKTBJY-UHFFFAOYSA-N
MW323.81 g/mol
LogP4.82
Rot. Bonds3

About 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile

3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile (PubChem CID 6404488) has the molecular formula C17H10ClN3S and a molecular weight of 323.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile
PubChem CID6404488
Molecular FormulaC17H10ClN3S
Molecular Weight323.81 g/mol
Exact Mass323.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H10ClN3S/c18-14-6-8-15(9-7-14)22-17-13(11-19)10-16(20-21-17)12-4-2-1-3-5-12/h1-10H
InChIKeyNXCOSEVTWKTBJY-UHFFFAOYSA-N
XLogP4.82
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile (CID 6404488) is 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile?
The InChIKey is NXCOSEVTWKTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3S/c18-14-6-8-15(9-7-14)22-17-13(11-19)10-16(20-21-17)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile?
3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile has a molecular weight of 323.81 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-6-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 6404488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).