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

C16H22FNO2S2 — CID 91277889

IUPACN-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C16H22FNO2S2/c1-4-6-10-18(9-5-2)22(19,20)16-12(3)14-11-13(17)7-8-15(14)21-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyIOVFYYDBTZXKPM-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.55
Rot. Bonds7

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

N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (PubChem CID 91277889) has the molecular formula C16H22FNO2S2 and a molecular weight of 343.49 g/mol. Its IUPAC name is N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
PubChem CID91277889
Molecular FormulaC16H22FNO2S2
Molecular Weight343.49 g/mol
Exact Mass343.11
IUPAC NameN-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C16H22FNO2S2/c1-4-6-10-18(9-5-2)22(19,20)16-12(3)14-11-13(17)7-8-15(14)21-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyIOVFYYDBTZXKPM-UHFFFAOYSA-N
XLogP4.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-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-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (CID 91277889) is N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is CCCCN(CCC)S(=O)(=O)c1sc2ccc(F)cc2c1C.
What is the InChIKey of N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The InChIKey is IOVFYYDBTZXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S2/c1-4-6-10-18(9-5-2)22(19,20)16-12(3)14-11-13(17)7-8-15(14)21-16/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide has a molecular weight of 343.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-fluoro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 91277889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).