2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide

C17H18ClNO3S — CID 102037107

IUPAC2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(C)(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-12-7-9-15(10-8-12)23(21,22)19-16(20)17(2,3)13-5-4-6-14(18)11-13/h4-11H,1-3H3,(H,19,20)
InChIKeyZDIKPFZVYLSFOQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide

2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 102037107) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID102037107
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(C)(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-12-7-9-15(10-8-12)23(21,22)19-16(20)17(2,3)13-5-4-6-14(18)11-13/h4-11H,1-3H3,(H,19,20)
InChIKeyZDIKPFZVYLSFOQ-UHFFFAOYSA-N
XLogP3.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide (CID 102037107) is 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)NC(=O)C(C)(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is ZDIKPFZVYLSFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12-7-9-15(10-8-12)23(21,22)19-16(20)17(2,3)13-5-4-6-14(18)11-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide?
2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 351.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 102037107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).