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

C10H11N3O2S2 — CID 747322

IUPAC4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C10H11N3O2S2/c1-7-3-5-9(6-4-7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13)
InChIKeyKAQWNTZFUOSELA-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

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

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 747322) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID747322
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C10H11N3O2S2/c1-7-3-5-9(6-4-7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13)
InChIKeyKAQWNTZFUOSELA-UHFFFAOYSA-N
XLogP1.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 747322) is 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is KAQWNTZFUOSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-3-5-9(6-4-7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 747322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).