5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride

C9H6ClFO2S2 — CID 2774586

IUPAC5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2ccc(F)cc12
InChIInChI=1S/C9H6ClFO2S2/c1-5-7-4-6(11)2-3-8(7)14-9(5)15(10,12)13/h2-4H,1H3
InChIKeyZPXXCKVUFYURAU-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.28
Rot. Bonds1

About 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride

5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride (PubChem CID 2774586) has the molecular formula C9H6ClFO2S2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
PubChem CID2774586
Molecular FormulaC9H6ClFO2S2
Molecular Weight264.73 g/mol
Exact Mass263.95
IUPAC Name5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2ccc(F)cc12
InChIInChI=1S/C9H6ClFO2S2/c1-5-7-4-6(11)2-3-8(7)14-9(5)15(10,12)13/h2-4H,1H3
InChIKeyZPXXCKVUFYURAU-UHFFFAOYSA-N
XLogP3.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-Benzothiophene-2-Sulfonamide
CID 10680096
1-Benzothiophene-3-sulfonamide
CID 13178324
Benzo(b)thiophene, 2,3-dimethyl-
CID 640773
2-Fluorobenzo[b]thiophene
CID 21732459
5-Phenylthiophene-2-sulphonyl chloride
CID 13425725
5-Fluoro-3-methyl-benzo[b]thiophene
CID 596828
2-Fluoro-3-butylbenzo[b]thiophene
CID 11009140
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-methyl-thiophene
CID 44330479
5-Chloro-3-methylbenzo(b)thiophene-2-sulfonyl chloride
CID 2735756
3-Methyl-1-benzothiophene-2-sulfonyl chloride
CID 2736815
1-Benzothiophene-2-sulfonyl chloride
CID 2776333
1-Benzothiophene-3-sulfonyl chloride
CID 2776340

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The IUPAC name of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride (CID 2774586) is 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The canonical SMILES for 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The InChIKey is ZPXXCKVUFYURAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO2S2/c1-5-7-4-6(11)2-3-8(7)14-9(5)15(10,12)13/h2-4H,1H3.
What are the key properties of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride is sourced from PubChem (CID 2774586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).