2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide

C13H19N5O2S — CID 106106320

IUPAC2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccn1
InChIInChI=1S/C13H19N5O2S/c1-3-14-13-10-12(5-7-15-13)21(19,20)16-8-4-11-6-9-18(2)17-11/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyGYAUTFKTFOUXPU-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.77
Rot. Bonds7

About 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide

2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 106106320) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
PubChem CID106106320
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccn1
InChIInChI=1S/C13H19N5O2S/c1-3-14-13-10-12(5-7-15-13)21(19,20)16-8-4-11-6-9-18(2)17-11/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyGYAUTFKTFOUXPU-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

2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 64523776
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106106302
3-(aminomethyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106106654
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103943
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 106105408

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide (CID 106106320) is 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is GYAUTFKTFOUXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-14-13-10-12(5-7-15-13)21(19,20)16-8-4-11-6-9-18(2)17-11/h5-7,9-10,16H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide?
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide 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 2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 106106320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).