2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide

C13H18N4O2S — CID 81470721

IUPAC2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H18N4O2S/c1-11(15-7-8-20(14,18)19)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3,(H2,14,18,19)
InChIKeyJYGFEWBZARVYSN-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.81
Rot. Bonds6

About 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide

2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide (PubChem CID 81470721) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
PubChem CID81470721
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H18N4O2S/c1-11(15-7-8-20(14,18)19)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3,(H2,14,18,19)
InChIKeyJYGFEWBZARVYSN-UHFFFAOYSA-N
XLogP0.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide (CID 81470721) is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide?
The InChIKey is JYGFEWBZARVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-11(15-7-8-20(14,18)19)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3,(H2,14,18,19).
What are the key properties of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide?
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 81470721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).