4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C12H10N2O2S3 — CID 11609277

IUPAC4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc2nc(-c3csc(S(N)(=O)=O)c3)sc2c1
InChIInChI=1S/C12H10N2O2S3/c1-7-2-3-9-10(4-7)18-12(14-9)8-5-11(17-6-8)19(13,15)16/h2-6H,1H3,(H2,13,15,16)
InChIKeySOGLIJJXPISIRD-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.98
Rot. Bonds2

About 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 11609277) has the molecular formula C12H10N2O2S3 and a molecular weight of 310.43 g/mol. Its IUPAC name is 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID11609277
Molecular FormulaC12H10N2O2S3
Molecular Weight310.43 g/mol
Exact Mass309.99
IUPAC Name4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc2nc(-c3csc(S(N)(=O)=O)c3)sc2c1
InChIInChI=1S/C12H10N2O2S3/c1-7-2-3-9-10(4-7)18-12(14-9)8-5-11(17-6-8)19(13,15)16/h2-6H,1H3,(H2,13,15,16)
InChIKeySOGLIJJXPISIRD-UHFFFAOYSA-N
XLogP2.98
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 11609277) is 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is Cc1ccc2nc(-c3csc(S(N)(=O)=O)c3)sc2c1.
What is the InChIKey of 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is SOGLIJJXPISIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S3/c1-7-2-3-9-10(4-7)18-12(14-9)8-5-11(17-6-8)19(13,15)16/h2-6H,1H3,(H2,13,15,16).
What are the key properties of 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 310.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 11609277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).