3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide

C16H15Cl2NO3S — CID 126223702

IUPAC3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NO3S/c1-11-3-2-4-13(9-11)19-16(20)7-8-23(21,22)15-10-12(17)5-6-14(15)18/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyCOZMNAZHXBBQPN-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.10
Rot. Bonds5

About 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide

3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide (PubChem CID 126223702) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
PubChem CID126223702
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NO3S/c1-11-3-2-4-13(9-11)19-16(20)7-8-23(21,22)15-10-12(17)5-6-14(15)18/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyCOZMNAZHXBBQPN-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1055767
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7732087
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide (CID 126223702) is 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
The InChIKey is COZMNAZHXBBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-11-3-2-4-13(9-11)19-16(20)7-8-23(21,22)15-10-12(17)5-6-14(15)18/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide has a molecular weight of 372.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 126223702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).