N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide

C11H15N5O2S — CID 64531874

IUPACN-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2ncn[nH]2)cc1
InChIInChI=1S/C11H15N5O2S/c1-12-19(17,18)10-4-2-9(3-5-10)13-7-6-11-14-8-15-16-11/h2-5,8,12-13H,6-7H2,1H3,(H,14,15,16)
InChIKeyUZAOWVMUIOVZLX-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.37
Rot. Bonds6

About N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide

N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 64531874) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID64531874
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2ncn[nH]2)cc1
InChIInChI=1S/C11H15N5O2S/c1-12-19(17,18)10-4-2-9(3-5-10)13-7-6-11-14-8-15-16-11/h2-5,8,12-13H,6-7H2,1H3,(H,14,15,16)
InChIKeyUZAOWVMUIOVZLX-UHFFFAOYSA-N
XLogP0.37
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (CID 64531874) is N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCCc2ncn[nH]2)cc1.
What is the InChIKey of N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is UZAOWVMUIOVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-12-19(17,18)10-4-2-9(3-5-10)13-7-6-11-14-8-15-16-11/h2-5,8,12-13H,6-7H2,1H3,(H,14,15,16).
What are the key properties of N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 64531874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).