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

C12H15N3O2S2 — CID 110870212

IUPAC3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nnc(CNS(=O)(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C12H15N3O2S2/c1-8-4-5-11(6-9(8)2)19(16,17)13-7-12-15-14-10(3)18-12/h4-6,13H,7H2,1-3H3
InChIKeyQDFUKPXFRLAYGS-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.94
Rot. Bonds4

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

3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110870212) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110870212
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nnc(CNS(=O)(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C12H15N3O2S2/c1-8-4-5-11(6-9(8)2)19(16,17)13-7-12-15-14-10(3)18-12/h4-6,13H,7H2,1-3H3
InChIKeyQDFUKPXFRLAYGS-UHFFFAOYSA-N
XLogP1.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870208
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 110870205
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
3,4-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401598
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368347
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (CID 110870212) is 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is Cc1nnc(CNS(=O)(=O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is QDFUKPXFRLAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-4-5-11(6-9(8)2)19(16,17)13-7-12-15-14-10(3)18-12/h4-6,13H,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110870212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).