2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide

C15H12Cl3NOS — CID 2865350

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20)
InChIKeyYDCPBLOSJFNAEV-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.77
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide (PubChem CID 2865350) has the molecular formula C15H12Cl3NOS and a molecular weight of 360.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
PubChem CID2865350
Molecular FormulaC15H12Cl3NOS
Molecular Weight360.69 g/mol
Exact Mass358.97
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20)
InChIKeyYDCPBLOSJFNAEV-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
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(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
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2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
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(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
ethyl 2-chloro-4-[[(2R)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 28633008
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 23100585
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide (CID 2865350) is 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is YDCPBLOSJFNAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 360.69 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 2865350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).