2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide

C15H18F2N4O2S — CID 123255614

IUPAC2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCn1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4O2S/c16-11-3-4-13(17)12(10-11)14-2-1-7-20(14)15-5-6-19-21(15)8-9-24(18,22)23/h3-6,10,14H,1-2,7-9H2,(H2,18,22,23)/t14-/m1/s1
InChIKeyVUIRBPBHQQERTA-CQSZACIVSA-N
MW356.40 g/mol
LogP1.79
Rot. Bonds5

About 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide

2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide (PubChem CID 123255614) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide
PubChem CID123255614
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC Name2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCn1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4O2S/c16-11-3-4-13(17)12(10-11)14-2-1-7-20(14)15-5-6-19-21(15)8-9-24(18,22)23/h3-6,10,14H,1-2,7-9H2,(H2,18,22,23)/t14-/m1/s1
InChIKeyVUIRBPBHQQERTA-CQSZACIVSA-N
XLogP1.79
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide?
The IUPAC name of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide (CID 123255614) is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide is NS(=O)(=O)CCn1nccc1N1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide?
The InChIKey is VUIRBPBHQQERTA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c16-11-3-4-13(17)12(10-11)14-2-1-7-20(14)15-5-6-19-21(15)8-9-24(18,22)23/h3-6,10,14H,1-2,7-9H2,(H2,18,22,23)/t14-/m1/s1.
What are the key properties of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide?
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide has a molecular weight of 356.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethanesulfonamide is sourced from PubChem (CID 123255614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).