4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide

C11H14ClN5O2S — CID 113366365

IUPAC4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)(C)n1c(-c2ccncc2Cl)nnc1S(N)(=O)=O
InChIInChI=1S/C11H14ClN5O2S/c1-11(2,3)17-9(7-4-5-14-6-8(7)12)15-16-10(17)20(13,18)19/h4-6H,1-3H3,(H2,13,18,19)
InChIKeyASKAMVPDLZMMHP-UHFFFAOYSA-N
MW315.79 g/mol
LogP1.40
Rot. Bonds2

About 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide

4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366365) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366365
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)(C)n1c(-c2ccncc2Cl)nnc1S(N)(=O)=O
InChIInChI=1S/C11H14ClN5O2S/c1-11(2,3)17-9(7-4-5-14-6-8(7)12)15-16-10(17)20(13,18)19/h4-6H,1-3H3,(H2,13,18,19)
InChIKeyASKAMVPDLZMMHP-UHFFFAOYSA-N
XLogP1.40
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide 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

4-tert-butyl-5-(3-methoxy-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
CID 105064809
5-chloro-3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 81441444
4-ethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazole-3-sulfonamide
CID 103123852
5-(3-bromo-2-pyridinyl)-4-tert-butyl-1,2,4-triazole-3-sulfonyl chloride
CID 107526470
4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazole-3-sulfonamide
CID 103167679
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-4-(4-methylphenyl)sulfonylpyridine
CID 102264519
2-[[5-(3-chloro-4-pyridinyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
CID 115431440
2-(3-chloro-4-pyridinyl)phenol;ethane
CID 144591018
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
CID 59216151
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide (CID 113366365) is 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide is CC(C)(C)n1c(-c2ccncc2Cl)nnc1S(N)(=O)=O.
What is the InChIKey of 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is ASKAMVPDLZMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-11(2,3)17-9(7-4-5-14-6-8(7)12)15-16-10(17)20(13,18)19/h4-6H,1-3H3,(H2,13,18,19).
What are the key properties of 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide?
4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(3-chloro-4-pyridinyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).