N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide

C16H16ClNO3S — CID 2089148

IUPACN-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H16ClNO3S/c1-22(20,21)13-8-9-14(17)15(11-13)18-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyPGXXSRHSTOZJLC-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.31
Rot. Bonds5

About N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide

N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide (PubChem CID 2089148) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide
PubChem CID2089148
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H16ClNO3S/c1-22(20,21)13-8-9-14(17)15(11-13)18-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyPGXXSRHSTOZJLC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide (CID 2089148) is N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide?
The InChIKey is PGXXSRHSTOZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-22(20,21)13-8-9-14(17)15(11-13)18-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide?
N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide has a molecular weight of 337.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2089148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).