N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide

C13H19N5O2S — CID 63330452

IUPACN,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCc1nncn1C
InChIInChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-7-5-4-6-11(12)14-9-8-13-16-15-10-18(13)3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyYWGMIBKOGUSOEU-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.72
Rot. Bonds6

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

N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 63330452) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID63330452
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCc1nncn1C
InChIInChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-7-5-4-6-11(12)14-9-8-13-16-15-10-18(13)3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyYWGMIBKOGUSOEU-UHFFFAOYSA-N
XLogP0.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330321
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine
CID 63586757
3-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-nitroaniline
CID 55200757
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61004106
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide (CID 63330452) is N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCCc1nncn1C.
What is the InChIKey of N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is YWGMIBKOGUSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-7-5-4-6-11(12)14-9-8-13-16-15-10-18(13)3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 63330452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).