N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide

C15H22F2N2O2S — CID 175189596

IUPACN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)CN1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O2S/c1-11(9-18-22(2,20)21)10-19-7-3-4-15(19)13-8-12(16)5-6-14(13)17/h5-6,8,11,15,18H,3-4,7,9-10H2,1-2H3/t11?,15-/m1/s1
InChIKeyBMYRCNGPDDHGQP-JOPIAHFSSA-N
MW332.42 g/mol
LogP2.29
Rot. Bonds6

About N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide

N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide (PubChem CID 175189596) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide
PubChem CID175189596
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC NameN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)CN1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O2S/c1-11(9-18-22(2,20)21)10-19-7-3-4-15(19)13-8-12(16)5-6-14(13)17/h5-6,8,11,15,18H,3-4,7,9-10H2,1-2H3/t11?,15-/m1/s1
InChIKeyBMYRCNGPDDHGQP-JOPIAHFSSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 124828269
1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
CID 141369872
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
N-tert-butyl-5-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-2-fluorobenzenesulfonamide
CID 166330291
2-(2,5-difluorophenyl)azepane-1-carbaldehyde
CID 176681918
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
CID 122516474
N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 83280968
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
CID 123702425
N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628813

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide (CID 175189596) is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide is CC(CNS(C)(=O)=O)CN1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide?
The InChIKey is BMYRCNGPDDHGQP-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-11(9-18-22(2,20)21)10-19-7-3-4-15(19)13-8-12(16)5-6-14(13)17/h5-6,8,11,15,18H,3-4,7,9-10H2,1-2H3/t11?,15-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide?
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide has a molecular weight of 332.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 175189596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).