N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide

C16H17FN4O2S — CID 176509366

IUPACN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc2ncccn2n1
InChIInChI=1S/C16H17FN4O2S/c1-3-21(12(2)13-5-7-14(17)8-6-13)24(22,23)16-11-15-18-9-4-10-20(15)19-16/h4-12H,3H2,1-2H3/t12-/m0/s1
InChIKeyQISXMSBZTKIFMP-LBPRGKRZSA-N
MW348.40 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide

N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 176509366) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID176509366
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc2ncccn2n1
InChIInChI=1S/C16H17FN4O2S/c1-3-21(12(2)13-5-7-14(17)8-6-13)24(22,23)16-11-15-18-9-4-10-20(15)19-16/h4-12H,3H2,1-2H3/t12-/m0/s1
InChIKeyQISXMSBZTKIFMP-LBPRGKRZSA-N
XLogP2.64
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide (CID 176509366) is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide is CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc2ncccn2n1.
What is the InChIKey of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is QISXMSBZTKIFMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-3-21(12(2)13-5-7-14(17)8-6-13)24(22,23)16-11-15-18-9-4-10-20(15)19-16/h4-12H,3H2,1-2H3/t12-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide?
N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 176509366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).