3-methyl-1-benzothiophene-6-sulfonamide

C9H9NO2S2 — CID 20824587

IUPAC3-methyl-1-benzothiophene-6-sulfonamide
SMILESCc1csc2cc(S(N)(=O)=O)ccc12
InChIInChI=1S/C9H9NO2S2/c1-6-5-13-9-4-7(14(10,11)12)2-3-8(6)9/h2-5H,1H3,(H2,10,11,12)
InChIKeyRGYZBLBEAOATNL-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.86
Rot. Bonds1

About 3-methyl-1-benzothiophene-6-sulfonamide

3-methyl-1-benzothiophene-6-sulfonamide (PubChem CID 20824587) has the molecular formula C9H9NO2S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-1-benzothiophene-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-benzothiophene-6-sulfonamide
PubChem CID20824587
Molecular FormulaC9H9NO2S2
Molecular Weight227.31 g/mol
Exact Mass227.01
IUPAC Name3-methyl-1-benzothiophene-6-sulfonamide
SMILESCc1csc2cc(S(N)(=O)=O)ccc12
InChIInChI=1S/C9H9NO2S2/c1-6-5-13-9-4-7(14(10,11)12)2-3-8(6)9/h2-5H,1H3,(H2,10,11,12)
InChIKeyRGYZBLBEAOATNL-UHFFFAOYSA-N
XLogP1.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-sulfanylidene-1,2-benzothiazole-6-sulfonamide
CID 57283566
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
CID 141017575
4-methyl-1,3-benzothiazole-6-sulfonamide
CID 119095250
3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405078
2H-1,4-benzothiazine-6-sulfonamide
CID 91520182
3-N,4-dimethylbenzene-1,3-disulfonamide
CID 43363677
5-ethyl-3-methyl-1-benzothiophen-6-ol
CID 131197632
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
3-methylbenzenesulfonamide
CID 69347063
3-(4-aminophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565114

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzothiophene-6-sulfonamide?
The IUPAC name of 3-methyl-1-benzothiophene-6-sulfonamide (CID 20824587) is 3-methyl-1-benzothiophene-6-sulfonamide.
What is the SMILES notation for 3-methyl-1-benzothiophene-6-sulfonamide?
The canonical SMILES for 3-methyl-1-benzothiophene-6-sulfonamide is Cc1csc2cc(S(N)(=O)=O)ccc12.
What is the InChIKey of 3-methyl-1-benzothiophene-6-sulfonamide?
The InChIKey is RGYZBLBEAOATNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S2/c1-6-5-13-9-4-7(14(10,11)12)2-3-8(6)9/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 3-methyl-1-benzothiophene-6-sulfonamide?
3-methyl-1-benzothiophene-6-sulfonamide has a molecular weight of 227.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-benzothiophene-6-sulfonamide is sourced from PubChem (CID 20824587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).