ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide

C17H23NO3S — CID 91006341

IUPACethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide
SMILESCC.CCc1ccccc1Oc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C15H17NO3S.C2H6/c1-3-12-6-4-5-7-15(12)19-13-8-10-14(11-9-13)20(17,18)16-2;1-2/h4-11,16H,3H2,1-2H3;1-2H3
InChIKeyOUXLWVWGFHGMBQ-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.98
Rot. Bonds5

About ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide

ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide (PubChem CID 91006341) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Nameethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide
PubChem CID91006341
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Nameethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide
SMILESCC.CCc1ccccc1Oc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C15H17NO3S.C2H6/c1-3-12-6-4-5-7-15(12)19-13-8-10-14(11-9-13)20(17,18)16-2;1-2/h4-11,16H,3H2,1-2H3;1-2H3
InChIKeyOUXLWVWGFHGMBQ-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide (CID 91006341) is ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide is CC.CCc1ccccc1Oc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is OUXLWVWGFHGMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S.C2H6/c1-3-12-6-4-5-7-15(12)19-13-8-10-14(11-9-13)20(17,18)16-2;1-2/h4-11,16H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide?
ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide has a molecular weight of 321.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 91006341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).