N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

C15H22N4O2S2 — CID 1166675

IUPACN,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)n2CC)cc1
InChIInChI=1S/C15H22N4O2S2/c1-5-18(6-2)23(20,21)13-10-8-12(9-11-13)14-16-17-15(22-4)19(14)7-3/h8-11H,5-7H2,1-4H3
InChIKeyYMSPRTBWSRWMMC-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.72
Rot. Bonds7

About N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 1166675) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID1166675
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)n2CC)cc1
InChIInChI=1S/C15H22N4O2S2/c1-5-18(6-2)23(20,21)13-10-8-12(9-11-13)14-16-17-15(22-4)19(14)7-3/h8-11H,5-7H2,1-4H3
InChIKeyYMSPRTBWSRWMMC-UHFFFAOYSA-N
XLogP2.72
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-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

4-[5-(cyanomethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 23761296
2-[[5-[4-(diethylsulfamoyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 1166720
N-(1,3-benzodioxol-5-yl)-2-[[5-[4-(diethylsulfamoyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1166686
N,N-diethyl-4-[4-ethyl-5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 3184597
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2411280
N,N-diethyl-4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzenesulfonamide
CID 24567116
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
N,N-dibenzyl-4-[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 23658868
N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide
CID 72860009
3-(4-chlorophenyl)-4-ethyl-5-ethylsulfanyl-1,2,4-triazole
CID 967172
N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 1166675) is N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)n2CC)cc1.
What is the InChIKey of N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is YMSPRTBWSRWMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-5-18(6-2)23(20,21)13-10-8-12(9-11-13)14-16-17-15(22-4)19(14)7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 1166675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).