2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

C12H16F2N2O2S — CID 104972390

IUPAC2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c13-9-3-4-12(11(14)8-9)19(17,18)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2/t10-/m1/s1
InChIKeyKRBNVUJGGLCNRE-SNVBAGLBSA-N
MW290.33 g/mol
LogP1.39
Rot. Bonds5

About 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (PubChem CID 104972390) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
PubChem CID104972390
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c13-9-3-4-12(11(14)8-9)19(17,18)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2/t10-/m1/s1
InChIKeyKRBNVUJGGLCNRE-SNVBAGLBSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328359
4-fluoro-2,6-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328360
2-fluoro-5-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972697
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977027
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723520
4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972468
3-fluoro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794131

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (CID 104972390) is 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is O=S(=O)(NCC[C@H]1CCCN1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is KRBNVUJGGLCNRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c13-9-3-4-12(11(14)8-9)19(17,18)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2/t10-/m1/s1.
What are the key properties of 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 104972390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).