2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide

C11H16N6O2S — CID 64523776

IUPAC2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCCc2ncn[nH]2)ccn1
InChIInChI=1S/C11H16N6O2S/c1-2-12-11-7-9(3-5-13-11)20(18,19)16-6-4-10-14-8-15-17-10/h3,5,7-8,16H,2,4,6H2,1H3,(H,12,13)(H,14,15,17)
InChIKeyPSSIDCLGZAXAKN-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.15
Rot. Bonds7

About 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide

2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 64523776) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
PubChem CID64523776
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCCc2ncn[nH]2)ccn1
InChIInChI=1S/C11H16N6O2S/c1-2-12-11-7-9(3-5-13-11)20(18,19)16-6-4-10-14-8-15-17-10/h3,5,7-8,16H,2,4,6H2,1H3,(H,12,13)(H,14,15,17)
InChIKeyPSSIDCLGZAXAKN-UHFFFAOYSA-N
XLogP0.15
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 64531595
5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068071
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide (CID 64523776) is 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)NCCc2ncn[nH]2)ccn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is PSSIDCLGZAXAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-2-12-11-7-9(3-5-13-11)20(18,19)16-6-4-10-14-8-15-17-10/h3,5,7-8,16H,2,4,6H2,1H3,(H,12,13)(H,14,15,17).
What are the key properties of 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 64523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).