N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide

C11H13NO2S2 — CID 19754290

IUPACN-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide
SMILESCCc1cc2cc(NS(C)(=O)=O)ccc2s1
InChIInChI=1S/C11H13NO2S2/c1-3-10-7-8-6-9(12-16(2,13)14)4-5-11(8)15-10/h4-7,12H,3H2,1-2H3
InChIKeySGESGFIXTVFKOZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.84
Rot. Bonds3

About N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide

N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide (PubChem CID 19754290) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide
PubChem CID19754290
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC NameN-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide
SMILESCCc1cc2cc(NS(C)(=O)=O)ccc2s1
InChIInChI=1S/C11H13NO2S2/c1-3-10-7-8-6-9(12-16(2,13)14)4-5-11(8)15-10/h4-7,12H,3H2,1-2H3
InChIKeySGESGFIXTVFKOZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide?
The IUPAC name of N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide (CID 19754290) is N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide?
The canonical SMILES for N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide is CCc1cc2cc(NS(C)(=O)=O)ccc2s1.
What is the InChIKey of N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide?
The InChIKey is SGESGFIXTVFKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c1-3-10-7-8-6-9(12-16(2,13)14)4-5-11(8)15-10/h4-7,12H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide?
N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide has a molecular weight of 255.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide is sourced from PubChem (CID 19754290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).