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

C13H19N5O2S — CID 63330321

IUPACN-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCc1nncn1C
InChIInChI=1S/C13H19N5O2S/c1-3-16-21(19,20)12-7-5-4-6-11(12)14-9-8-13-17-15-10-18(13)2/h4-7,10,14,16H,3,8-9H2,1-2H3
InChIKeyQVMKMGQEYVOSER-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.77
Rot. Bonds7

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

N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 63330321) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID63330321
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCc1nncn1C
InChIInChI=1S/C13H19N5O2S/c1-3-16-21(19,20)12-7-5-4-6-11(12)14-9-8-13-17-15-10-18(13)2/h4-7,10,14,16H,3,8-9H2,1-2H3
InChIKeyQVMKMGQEYVOSER-UHFFFAOYSA-N
XLogP0.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330452
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61004106
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
2-amino-4-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332713
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
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
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332267
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide (CID 63330321) is N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCCc1nncn1C.
What is the InChIKey of N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is QVMKMGQEYVOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-16-21(19,20)12-7-5-4-6-11(12)14-9-8-13-17-15-10-18(13)2/h4-7,10,14,16H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide?
N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 63330321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).