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

C16H16ClNO3S — CID 716758

IUPACN-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO3S/c1-12-5-7-15(8-6-12)22(20,21)10-9-16(19)18-14-4-2-3-13(17)11-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyOSAFCZYBDGUIBB-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.45
Rot. Bonds5

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

N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 716758) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID716758
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO3S/c1-12-5-7-15(8-6-12)22(20,21)10-9-16(19)18-14-4-2-3-13(17)11-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyOSAFCZYBDGUIBB-UHFFFAOYSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 716758) is N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is OSAFCZYBDGUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-12-5-7-15(8-6-12)22(20,21)10-9-16(19)18-14-4-2-3-13(17)11-14/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 337.83 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 716758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).