2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C15H21N3O2S2 — CID 769413

IUPAC2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c(C)c1
InChIInChI=1S/C15H21N3O2S2/c1-9(2)6-13-16-17-15(21-13)18-22(19,20)14-11(4)7-10(3)8-12(14)5/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyIEBHKPVWBNNSNZ-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.46
Rot. Bonds5

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

2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 769413) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID769413
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c(C)c1
InChIInChI=1S/C15H21N3O2S2/c1-9(2)6-13-16-17-15(21-13)18-22(19,20)14-11(4)7-10(3)8-12(14)5/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyIEBHKPVWBNNSNZ-UHFFFAOYSA-N
XLogP3.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.46
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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 769413) is 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is IEBHKPVWBNNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-9(2)6-13-16-17-15(21-13)18-22(19,20)14-11(4)7-10(3)8-12(14)5/h7-9H,6H2,1-5H3,(H,17,18).
What are the key properties of 2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 339.49 g/mol, XLogP of 3.46, 5 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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 769413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).