2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide

C12H11N3O2S3 — CID 71858382

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(C)sc3ccccc23)s1
InChIInChI=1S/C12H11N3O2S3/c1-7-11(9-5-3-4-6-10(9)18-7)20(16,17)15-12-14-13-8(2)19-12/h3-6H,1-2H3,(H,14,15)
InChIKeyCLZCXUAZUQKRQY-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide (PubChem CID 71858382) has the molecular formula C12H11N3O2S3 and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide
PubChem CID71858382
Molecular FormulaC12H11N3O2S3
Molecular Weight325.44 g/mol
Exact Mass325.00
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(C)sc3ccccc23)s1
InChIInChI=1S/C12H11N3O2S3/c1-7-11(9-5-3-4-6-10(9)18-7)20(16,17)15-12-14-13-8(2)19-12/h3-6H,1-2H3,(H,14,15)
InChIKeyCLZCXUAZUQKRQY-UHFFFAOYSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2H-tetrazol-5-yl)-1-benzothiophene-3-sulfonamide
CID 172434361
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-3-sulfonamide
CID 172434942
4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859529
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzene-1-sulfonamide
CID 71368238
2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 57295659
5-(1-Benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 68765660
5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 139550751
5-(4-iodophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 148308862
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 3326894
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 103740815
2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide (CID 71858382) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide is Cc1nnc(NS(=O)(=O)c2c(C)sc3ccccc23)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide?
The InChIKey is CLZCXUAZUQKRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S3/c1-7-11(9-5-3-4-6-10(9)18-7)20(16,17)15-12-14-13-8(2)19-12/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71858382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).