N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide

C8H15N3O2S — CID 22203635

IUPACN-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C8H15N3O2S/c1-5-14(12,13)10-8-6(2)9-11(4)7(8)3/h10H,5H2,1-4H3
InChIKeyURDZXLOAEZTFSW-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.80
Rot. Bonds3

About N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide

N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide (PubChem CID 22203635) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
PubChem CID22203635
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C8H15N3O2S/c1-5-14(12,13)10-8-6(2)9-11(4)7(8)3/h10H,5H2,1-4H3
InChIKeyURDZXLOAEZTFSW-UHFFFAOYSA-N
XLogP0.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide (CID 22203635) is N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide is CCS(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
The InChIKey is URDZXLOAEZTFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-5-14(12,13)10-8-6(2)9-11(4)7(8)3/h10H,5H2,1-4H3.
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 22203635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).