N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide

C18H20ClN3O3S2 — CID 22425636

IUPACN-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(S(=O)(=O)C2CCCCC2)nn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S2/c19-13-6-8-14(9-7-13)20-16(23)12-26-17-10-11-18(22-21-17)27(24,25)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,20,23)
InChIKeyBPTSFMGLQZIOGA-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.97
Rot. Bonds6

About N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide (PubChem CID 22425636) has the molecular formula C18H20ClN3O3S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide
PubChem CID22425636
Molecular FormulaC18H20ClN3O3S2
Molecular Weight425.96 g/mol
Exact Mass425.06
IUPAC NameN-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(S(=O)(=O)C2CCCCC2)nn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S2/c19-13-6-8-14(9-7-13)20-16(23)12-26-17-10-11-18(22-21-17)27(24,25)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,20,23)
InChIKeyBPTSFMGLQZIOGA-UHFFFAOYSA-N
XLogP3.97
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide (CID 22425636) is N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(S(=O)(=O)C2CCCCC2)nn1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is BPTSFMGLQZIOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S2/c19-13-6-8-14(9-7-13)20-16(23)12-26-17-10-11-18(22-21-17)27(24,25)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 425.96 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 22425636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).