2,7-dimethyl-1-benzothiophene-3-sulfonamide

C10H11NO2S2 — CID 71755810

IUPAC2,7-dimethyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2c(C)cccc2c1S(N)(=O)=O
InChIInChI=1S/C10H11NO2S2/c1-6-4-3-5-8-9(6)14-7(2)10(8)15(11,12)13/h3-5H,1-2H3,(H2,11,12,13)
InChIKeySCDNNKCTHYKEGH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.17
Rot. Bonds1

About 2,7-dimethyl-1-benzothiophene-3-sulfonamide

2,7-dimethyl-1-benzothiophene-3-sulfonamide (PubChem CID 71755810) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2,7-dimethyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2,7-dimethyl-1-benzothiophene-3-sulfonamide
PubChem CID71755810
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Name2,7-dimethyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2c(C)cccc2c1S(N)(=O)=O
InChIInChI=1S/C10H11NO2S2/c1-6-4-3-5-8-9(6)14-7(2)10(8)15(11,12)13/h3-5H,1-2H3,(H2,11,12,13)
InChIKeySCDNNKCTHYKEGH-UHFFFAOYSA-N
XLogP2.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzothiophene-2-Sulfonamide
CID 10680096
Benzo(b)thiophene, 2,7-dimethyl-
CID 85502
4-(1-Benzothiophen-2-yl)benzenesulfonamide
CID 127029023
5-[2-(Dimethylamino)ethylthiomethyl]-2-sulfamoylbenzo[b]thiophene
CID 13922894
4-(2-Phenyl-1-benzothiophen-3-yl)benzenesulfonamide
CID 44142500
1-Benzothiophene-3-sulfonamide
CID 13178324
2,3,7-Trimethyl-benzothiophene
CID 6431465
3-Methyl-1-benzothiophene-2-sulfonyl chloride
CID 2736815
5-Fluoro-3-methylbenzo[b]thiophene-2-sulphonyl chloride
CID 2774586
1-Benzothiophene-2-sulfonyl chloride
CID 2776333
1-Benzothiophene-3-sulfonyl chloride
CID 2776340
5-Methyl-1-benzothiophene-2-sulfonyl chloride
CID 2794771

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2,7-dimethyl-1-benzothiophene-3-sulfonamide (CID 71755810) is 2,7-dimethyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2,7-dimethyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2,7-dimethyl-1-benzothiophene-3-sulfonamide is Cc1sc2c(C)cccc2c1S(N)(=O)=O.
What is the InChIKey of 2,7-dimethyl-1-benzothiophene-3-sulfonamide?
The InChIKey is SCDNNKCTHYKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S2/c1-6-4-3-5-8-9(6)14-7(2)10(8)15(11,12)13/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 2,7-dimethyl-1-benzothiophene-3-sulfonamide?
2,7-dimethyl-1-benzothiophene-3-sulfonamide has a molecular weight of 241.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71755810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).