N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide

C14H20N4O2S — CID 6499845

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1nc(C)n(CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H20N4O2S/c1-10-5-6-14(9-11(10)2)21(19,20)15-7-8-18-13(4)16-12(3)17-18/h5-6,9,15H,7-8H2,1-4H3
InChIKeyAHYVMCGOGLLHEE-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 6499845) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID6499845
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1nc(C)n(CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H20N4O2S/c1-10-5-6-14(9-11(10)2)21(19,20)15-7-8-18-13(4)16-12(3)17-18/h5-6,9,15H,7-8H2,1-4H3
InChIKeyAHYVMCGOGLLHEE-UHFFFAOYSA-N
XLogP1.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 121074792
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
CID 22207421
2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
CID 81357871
3,4-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516288
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
3,4-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 110716709
N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 121077820
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110716726
3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110396338

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 6499845) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1nc(C)n(CCNS(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is AHYVMCGOGLLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-5-6-14(9-11(10)2)21(19,20)15-7-8-18-13(4)16-12(3)17-18/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 6499845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).