N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide

C13H15NO4S3 — CID 18574208

IUPACN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO4S3/c1-20(15,16)14-10-13(12-8-5-9-19-12)21(17,18)11-6-3-2-4-7-11/h2-9,13-14H,10H2,1H3
InChIKeyIZQXSXTYBPYCAT-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide

N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide (PubChem CID 18574208) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide
PubChem CID18574208
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC NameN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO4S3/c1-20(15,16)14-10-13(12-8-5-9-19-12)21(17,18)11-6-3-2-4-7-11/h2-9,13-14H,10H2,1H3
InChIKeyIZQXSXTYBPYCAT-UHFFFAOYSA-N
XLogP1.81
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide?
The IUPAC name of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide (CID 18574208) is N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide is CS(=O)(=O)NCC(c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide?
The InChIKey is IZQXSXTYBPYCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-20(15,16)14-10-13(12-8-5-9-19-12)21(17,18)11-6-3-2-4-7-11/h2-9,13-14H,10H2,1H3.
What are the key properties of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide?
N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 18574208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).