N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride

C5H11ClF2N2O2S — CID 169240282

IUPACN-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@@H]1CNCC1(F)F.Cl
InChIInChI=1S/C5H10F2N2O2S.ClH/c1-12(10,11)9-4-2-8-3-5(4,6)7;/h4,8-9H,2-3H2,1H3;1H/t4-;/m1./s1
InChIKeyCRNDAGRFWBXILE-PGMHMLKASA-N
MW236.67 g/mol
LogP-0.44
Rot. Bonds2

About N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride

N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 169240282) has the molecular formula C5H11ClF2N2O2S and a molecular weight of 236.67 g/mol. Its IUPAC name is N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID169240282
Molecular FormulaC5H11ClF2N2O2S
Molecular Weight236.67 g/mol
Exact Mass236.02
IUPAC NameN-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@@H]1CNCC1(F)F.Cl
InChIInChI=1S/C5H10F2N2O2S.ClH/c1-12(10,11)9-4-2-8-3-5(4,6)7;/h4,8-9H,2-3H2,1H3;1H/t4-;/m1./s1
InChIKeyCRNDAGRFWBXILE-PGMHMLKASA-N
XLogP-0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride (CID 169240282) is N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)N[C@@H]1CNCC1(F)F.Cl.
What is the InChIKey of N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is CRNDAGRFWBXILE-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10F2N2O2S.ClH/c1-12(10,11)9-4-2-8-3-5(4,6)7;/h4,8-9H,2-3H2,1H3;1H/t4-;/m1./s1.
What are the key properties of N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride?
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 236.67 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 169240282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).