N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide

C10H12FN5O2S — CID 115319855

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide
SMILESNc1cnn(CCNS(=O)(=O)c2cncc(F)c2)c1
InChIInChI=1S/C10H12FN5O2S/c11-8-3-10(6-13-4-8)19(17,18)15-1-2-16-7-9(12)5-14-16/h3-7,15H,1-2,12H2
InChIKeyXTWKBRXDXPRXTL-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.02
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide (PubChem CID 115319855) has the molecular formula C10H12FN5O2S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide
PubChem CID115319855
Molecular FormulaC10H12FN5O2S
Molecular Weight285.30 g/mol
Exact Mass285.07
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide
SMILESNc1cnn(CCNS(=O)(=O)c2cncc(F)c2)c1
InChIInChI=1S/C10H12FN5O2S/c11-8-3-10(6-13-4-8)19(17,18)15-1-2-16-7-9(12)5-14-16/h3-7,15H,1-2,12H2
InChIKeyXTWKBRXDXPRXTL-UHFFFAOYSA-N
XLogP-0.02
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide (CID 115319855) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide is Nc1cnn(CCNS(=O)(=O)c2cncc(F)c2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide?
The InChIKey is XTWKBRXDXPRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2S/c11-8-3-10(6-13-4-8)19(17,18)15-1-2-16-7-9(12)5-14-16/h3-7,15H,1-2,12H2.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide has a molecular weight of 285.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 115319855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).