2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride

C19H14Cl4N2OS — CID 50899014

IUPAC2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cn1)C(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl3N2OS.ClH/c20-13-3-1-12(2-4-13)18(26-16-8-5-14(21)6-9-16)19(25)24-17-10-7-15(22)11-23-17;/h1-11,18H,(H,23,24,25);1H
InChIKeyBQLKVRIOZROFOY-UHFFFAOYSA-N
MW460.21 g/mol
LogP6.94
Rot. Bonds5

About 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride

2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride (PubChem CID 50899014) has the molecular formula C19H14Cl4N2OS and a molecular weight of 460.21 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride
PubChem CID50899014
Molecular FormulaC19H14Cl4N2OS
Molecular Weight460.21 g/mol
Exact Mass457.96
IUPAC Name2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cn1)C(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl3N2OS.ClH/c20-13-3-1-12(2-4-13)18(26-16-8-5-14(21)6-9-16)19(25)24-17-10-7-15(22)11-23-17;/h1-11,18H,(H,23,24,25);1H
InChIKeyBQLKVRIOZROFOY-UHFFFAOYSA-N
XLogP6.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.21
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride (CID 50899014) is 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)cn1)C(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride?
The InChIKey is BQLKVRIOZROFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2OS.ClH/c20-13-3-1-12(2-4-13)18(26-16-8-5-14(21)6-9-16)19(25)24-17-10-7-15(22)11-23-17;/h1-11,18H,(H,23,24,25);1H.
What are the key properties of 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride?
2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride has a molecular weight of 460.21 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 50899014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).