1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine

C20H13ClN2S — CID 6407693

IUPAC1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine
SMILESClc1ccccc1Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H13ClN2S/c21-17-12-6-7-13-18(17)24-20-16-11-5-4-10-15(16)19(22-23-20)14-8-2-1-3-9-14/h1-13H
InChIKeyXZWSLNHZPBLWLT-UHFFFAOYSA-N
MW348.86 g/mol
LogP6.10
Rot. Bonds3

About 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine

1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine (PubChem CID 6407693) has the molecular formula C20H13ClN2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine
PubChem CID6407693
Molecular FormulaC20H13ClN2S
Molecular Weight348.86 g/mol
Exact Mass348.05
IUPAC Name1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine
SMILESClc1ccccc1Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H13ClN2S/c21-17-12-6-7-13-18(17)24-20-16-11-5-4-10-15(16)19(22-23-20)14-8-2-1-3-9-14/h1-13H
InChIKeyXZWSLNHZPBLWLT-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.86
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethylsulfanyl)-4-phenylphthalazine
CID 6401158
1-(2,4-dinitrophenyl)sulfanyl-4-phenylphthalazine
CID 9334816
1-[(3-chlorophenyl)methylsulfanyl]-4-phenylphthalazine
CID 6992145
1-(difluoromethylsulfanyl)-4-(4-methylphenyl)phthalazine
CID 6401207
1-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine
CID 4015733
1-chloro-4-(2-methylphenyl)sulfanylphthalazine
CID 55040702
1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine
CID 7915599
1-phenyl-4-propan-2-yloxyphthalazine
CID 2836685
5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile
CID 1475516
1-phenyl-4-thiophen-3-ylphthalazine
CID 59868608
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580503

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine (CID 6407693) is 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine is Clc1ccccc1Sc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine?
The InChIKey is XZWSLNHZPBLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2S/c21-17-12-6-7-13-18(17)24-20-16-11-5-4-10-15(16)19(22-23-20)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine?
1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine has a molecular weight of 348.86 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-4-phenylphthalazine is sourced from PubChem (CID 6407693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).