N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide

C11H14N4O2S — CID 47268286

IUPACN-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(c1ccncc1)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4O2S/c1-9(10-3-5-12-6-4-10)15(2)18(16,17)11-7-13-14-8-11/h3-9H,1-2H3,(H,13,14)
InChIKeyDGOMXIXYZICVER-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide

N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47268286) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47268286
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(c1ccncc1)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4O2S/c1-9(10-3-5-12-6-4-10)15(2)18(16,17)11-7-13-14-8-11/h3-9H,1-2H3,(H,13,14)
InChIKeyDGOMXIXYZICVER-UHFFFAOYSA-N
XLogP1.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide (CID 47268286) is N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide is CC(c1ccncc1)N(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DGOMXIXYZICVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-9(10-3-5-12-6-4-10)15(2)18(16,17)11-7-13-14-8-11/h3-9H,1-2H3,(H,13,14).
What are the key properties of N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).