N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide

C11H14ClNO3S — CID 47207279

IUPACN-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO3S/c1-3-17(15,16)7-11(14)13-10-6-9(12)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyQYAYKTJSHHQUHH-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.02
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide

N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide (PubChem CID 47207279) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide
PubChem CID47207279
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO3S/c1-3-17(15,16)7-11(14)13-10-6-9(12)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyQYAYKTJSHHQUHH-UHFFFAOYSA-N
XLogP2.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide (CID 47207279) is N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide?
The InChIKey is QYAYKTJSHHQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-3-17(15,16)7-11(14)13-10-6-9(12)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide?
N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide has a molecular weight of 275.76 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-ethylsulfonylacetamide is sourced from PubChem (CID 47207279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).