5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide

C9H8FNO2S2 — CID 67145301

IUPAC5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)sc2ccc(F)cc12
InChIInChI=1S/C9H8FNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13)
InChIKeyVJROMBCJDSOQNS-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.00
Rot. Bonds1

About 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide

5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 67145301) has the molecular formula C9H8FNO2S2 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
PubChem CID67145301
Molecular FormulaC9H8FNO2S2
Molecular Weight245.30 g/mol
Exact Mass245.00
IUPAC Name5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)sc2ccc(F)cc12
InChIInChI=1S/C9H8FNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13)
InChIKeyVJROMBCJDSOQNS-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzothiophene-2-Sulfonamide
CID 10680096
4-(1-Benzothiophen-2-yl)benzenesulfonamide
CID 127029023
4-(2-Phenyl-1-benzothiophen-3-yl)benzenesulfonamide
CID 44142500
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
1-Benzothiophene-3-sulfonamide
CID 13178324
3-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenyl)thiophene
CID 9927613
4-[2-(4-Fluoro-phenyl)-5-isopropyl-thiophen-3-yl]-benzenesulfonamide
CID 15390771
4-[3-(4-Fluoro-phenyl)-thiophen-2-yl]-benzenesulfonamide
CID 18400189
5-Chloro-3-methylbenzo[b]thiophene-2-sulfonamide
CID 2757668
2-Fluoro-3-butylbenzo[b]thiophene
CID 11009140
3-Methyl-1-benzothiophene-2-sulfonyl chloride
CID 2736815
5-Fluoro-3-methylbenzo[b]thiophene-2-sulphonyl chloride
CID 2774586

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide (CID 67145301) is 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide is Cc1c(S(N)(=O)=O)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is VJROMBCJDSOQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide?
5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 67145301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).