N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

C14H18FNO2S2 — CID 91277774

IUPACN-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C14H18FNO2S2/c1-4-8-16(5-2)20(17,18)14-10(3)12-9-11(15)6-7-13(12)19-14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyZIABXQMZNIQSQA-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (PubChem CID 91277774) has the molecular formula C14H18FNO2S2 and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
PubChem CID91277774
Molecular FormulaC14H18FNO2S2
Molecular Weight315.44 g/mol
Exact Mass315.08
IUPAC NameN-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C14H18FNO2S2/c1-4-8-16(5-2)20(17,18)14-10(3)12-9-11(15)6-7-13(12)19-14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyZIABXQMZNIQSQA-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (CID 91277774) is N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is CCCN(CC)S(=O)(=O)c1sc2ccc(F)cc2c1C.
What is the InChIKey of N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The InChIKey is ZIABXQMZNIQSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S2/c1-4-8-16(5-2)20(17,18)14-10(3)12-9-11(15)6-7-13(12)19-14/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 91277774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).