2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C12H15N3O2S2 — CID 685437

IUPAC2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nnc(C)s2)c(C)c1
InChIInChI=1S/C12H15N3O2S2/c1-7-5-8(2)11(9(3)6-7)19(16,17)15-12-14-13-10(4)18-12/h5-6H,1-4H3,(H,14,15)
InChIKeyDIITWRAPAQSHAS-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.57
Rot. Bonds3

About 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 685437) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID685437
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nnc(C)s2)c(C)c1
InChIInChI=1S/C12H15N3O2S2/c1-7-5-8(2)11(9(3)6-7)19(16,17)15-12-14-13-10(4)18-12/h5-6H,1-4H3,(H,14,15)
InChIKeyDIITWRAPAQSHAS-UHFFFAOYSA-N
XLogP2.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 685437) is 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2nnc(C)s2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is DIITWRAPAQSHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-7-5-8(2)11(9(3)6-7)19(16,17)15-12-14-13-10(4)18-12/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 685437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).