2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline

C14H19N3O2S — CID 102846547

IUPAC2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1ccn(C)n1
InChIInChI=1S/C14H19N3O2S/c1-3-20(18,19)14-7-5-4-6-13(14)15-10-8-12-9-11-17(2)16-12/h4-7,9,11,15H,3,8,10H2,1-2H3
InChIKeyJNAUWOMOFJQAGG-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.87
Rot. Bonds6

About 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline

2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 102846547) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
PubChem CID102846547
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1ccn(C)n1
InChIInChI=1S/C14H19N3O2S/c1-3-20(18,19)14-7-5-4-6-13(14)15-10-8-12-9-11-17(2)16-12/h4-7,9,11,15H,3,8,10H2,1-2H3
InChIKeyJNAUWOMOFJQAGG-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 106105497
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
CID 99790091
3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 106104073
2-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 64529869
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-ethylsulfanyl-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106105144
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 114143992
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106106302
2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 102846338
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline (CID 102846547) is 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline is CCS(=O)(=O)c1ccccc1NCCc1ccn(C)n1.
What is the InChIKey of 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is JNAUWOMOFJQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-20(18,19)14-7-5-4-6-13(14)15-10-8-12-9-11-17(2)16-12/h4-7,9,11,15H,3,8,10H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline?
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 293.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 102846547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).