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

C15H12Cl3NO3S — CID 26589989

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyDJSQIKRJNPCONC-UHFFFAOYSA-N
MW392.69 g/mol
LogP4.45
Rot. Bonds5

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

3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide (PubChem CID 26589989) has the molecular formula C15H12Cl3NO3S and a molecular weight of 392.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
PubChem CID26589989
Molecular FormulaC15H12Cl3NO3S
Molecular Weight392.69 g/mol
Exact Mass390.96
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyDJSQIKRJNPCONC-UHFFFAOYSA-N
XLogP4.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 4-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-methylbenzoate
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3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
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3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
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3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
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2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide (CID 26589989) is 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is DJSQIKRJNPCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 392.69 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 26589989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).