2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

C14H11Cl2NOS — CID 2384590

IUPAC2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NOS/c15-9-14(18)17-12-3-1-2-4-13(12)19-11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18)
InChIKeyZOHWUQLZHKWGQT-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.67
Rot. Bonds4

About 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 2384590) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID2384590
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NOS/c15-9-14(18)17-12-3-1-2-4-13(12)19-11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18)
InChIKeyZOHWUQLZHKWGQT-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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2-Chloro-N-[2-(phenylsulfanyl)phenyl]acetamide
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2-chloro-N-(2-(methylsulfanyl)phenyl)acetamide
CID 2362554
4-Acetamido-4'-chlorodiphenyl sulfone
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(E)-2,3-dichloro-N-(2-chlorophenyl)-3-(phenylsulfinyl)-2-propenamide
CID 1473969
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4879562
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
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CID 589428

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (CID 2384590) is 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is O=C(CCl)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is ZOHWUQLZHKWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-9-14(18)17-12-3-1-2-4-13(12)19-11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 312.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 2384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).