3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide

C17H19ClN2O3S — CID 17225634

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-3-5-13(2)17(12)20-16(21)10-11-19-24(22,23)15-8-6-14(18)7-9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyZPGJDHRYQDVUKW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.26
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 17225634) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID17225634
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-3-5-13(2)17(12)20-16(21)10-11-19-24(22,23)15-8-6-14(18)7-9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyZPGJDHRYQDVUKW-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 112762702
3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789074
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
CID 9246818
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)acetamide
CID 113001461
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
methyl 3-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylbenzoate
CID 9495078

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide (CID 17225634) is 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is ZPGJDHRYQDVUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-4-3-5-13(2)17(12)20-16(21)10-11-19-24(22,23)15-8-6-14(18)7-9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 17225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).