N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide

C15H14ClNO4S — CID 1263080

IUPACN-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-11-2-6-13(7-3-11)21-10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDFWMYERZNGSBRZ-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.53
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide

N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide (PubChem CID 1263080) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide
PubChem CID1263080
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-11-2-6-13(7-3-11)21-10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDFWMYERZNGSBRZ-UHFFFAOYSA-N
XLogP2.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide (CID 1263080) is N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide?
The InChIKey is DFWMYERZNGSBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-11-2-6-13(7-3-11)21-10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide?
N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide has a molecular weight of 339.80 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1263080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).