4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C13H15NO2S2 — CID 711102

IUPAC4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C13H15NO2S2/c1-11-4-6-13(7-5-11)18(15,16)14-9-8-12-3-2-10-17-12/h2-7,10,14H,8-9H2,1H3
InChIKeyUMBGEZYIVHHOOZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.58
Rot. Bonds5

About 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 711102) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID711102
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C13H15NO2S2/c1-11-4-6-13(7-5-11)18(15,16)14-9-8-12-3-2-10-17-12/h2-7,10,14H,8-9H2,1H3
InChIKeyUMBGEZYIVHHOOZ-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 711102) is 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UMBGEZYIVHHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-11-4-6-13(7-5-11)18(15,16)14-9-8-12-3-2-10-17-12/h2-7,10,14H,8-9H2,1H3.
What are the key properties of 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 281.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 711102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).