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

C12H15N3O2S2 — CID 35538778

IUPAC2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(C)c(C)cc2C)s1
InChIInChI=1S/C12H15N3O2S2/c1-7-5-9(3)11(6-8(7)2)19(16,17)15-12-14-13-10(4)18-12/h5-6H,1-4H3,(H,14,15)
InChIKeyCRBLWPSWRQOUJK-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.57
Rot. Bonds3

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

2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 35538778) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID35538778
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(C)c(C)cc2C)s1
InChIInChI=1S/C12H15N3O2S2/c1-7-5-9(3)11(6-8(7)2)19(16,17)15-12-14-13-10(4)18-12/h5-6H,1-4H3,(H,14,15)
InChIKeyCRBLWPSWRQOUJK-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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Related Compounds

2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
4-bromo-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91660871
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 103171831
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
2-ethyl-5-(methylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082921
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082813
2,5-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100714242
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 35538778) is 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2cc(C)c(C)cc2C)s1.
What is the InChIKey of 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is CRBLWPSWRQOUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-7-5-9(3)11(6-8(7)2)19(16,17)15-12-14-13-10(4)18-12/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2,4,5-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 2,4,5-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35538778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).