N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide

C11H15NO4S — CID 71477044

IUPACN-(4-acetyl-2-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-4-16-11-7-9(8(2)13)5-6-10(11)12-17(3,14)15/h5-7,12H,4H2,1-3H3
InChIKeyJIWRNBOVCPDPQY-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.66
Rot. Bonds5

About N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide

N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide (PubChem CID 71477044) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-ethoxyphenyl)methanesulfonamide
PubChem CID71477044
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-(4-acetyl-2-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-4-16-11-7-9(8(2)13)5-6-10(11)12-17(3,14)15/h5-7,12H,4H2,1-3H3
InChIKeyJIWRNBOVCPDPQY-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide (CID 71477044) is N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide is CCOc1cc(C(C)=O)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide?
The InChIKey is JIWRNBOVCPDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-16-11-7-9(8(2)13)5-6-10(11)12-17(3,14)15/h5-7,12H,4H2,1-3H3.
What are the key properties of N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide?
N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 71477044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).