2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide

C19H23N5O2S — CID 50976916

IUPAC2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESCc1cc(-c2nc(CC(C)C)nn2-c2ccccn2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C19H23N5O2S/c1-12(2)9-17-22-19(24(23-17)18-7-5-6-8-21-18)15-10-13(3)14(4)16(11-15)27(20,25)26/h5-8,10-12H,9H2,1-4H3,(H2,20,25,26)
InChIKeyVJSPDADBQRQPAB-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.79
Rot. Bonds5

About 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide

2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide (PubChem CID 50976916) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide
PubChem CID50976916
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESCc1cc(-c2nc(CC(C)C)nn2-c2ccccn2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C19H23N5O2S/c1-12(2)9-17-22-19(24(23-17)18-7-5-6-8-21-18)15-10-13(3)14(4)16(11-15)27(20,25)26/h5-8,10-12H,9H2,1-4H3,(H2,20,25,26)
InChIKeyVJSPDADBQRQPAB-UHFFFAOYSA-N
XLogP2.79
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
2-(5-ethyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 171716324
(4S)-4-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95120371
3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one
CID 50976957
2-[5-(methylsulfonylmethyl)-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970750
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
4-methylsulfonyl-1-pyridin-2-ylpyrazol-5-amine
CID 79020335
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide
CID 154818129
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide (CID 50976916) is 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide is Cc1cc(-c2nc(CC(C)C)nn2-c2ccccn2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide?
The InChIKey is VJSPDADBQRQPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12(2)9-17-22-19(24(23-17)18-7-5-6-8-21-18)15-10-13(3)14(4)16(11-15)27(20,25)26/h5-8,10-12H,9H2,1-4H3,(H2,20,25,26).
What are the key properties of 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide?
2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 50976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).