(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H13ClF2N2O2S — CID 119993401

IUPAC(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C10H12F2N2O2S.ClH/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14;/h1-3,7H,4-6,13H2;1H/t7-;/m0./s1
InChIKeyUQWHFIIKDUFBPL-FJXQXJEOSA-N
MW298.74 g/mol
LogP1.11
Rot. Bonds2

About (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119993401) has the molecular formula C10H13ClF2N2O2S and a molecular weight of 298.74 g/mol. Its IUPAC name is (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119993401
Molecular FormulaC10H13ClF2N2O2S
Molecular Weight298.74 g/mol
Exact Mass298.04
IUPAC Name(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C10H12F2N2O2S.ClH/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14;/h1-3,7H,4-6,13H2;1H/t7-;/m0./s1
InChIKeyUQWHFIIKDUFBPL-FJXQXJEOSA-N
XLogP1.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine
CID 119959190
[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708491
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119993401) is (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is UQWHFIIKDUFBPL-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H12F2N2O2S.ClH/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14;/h1-3,7H,4-6,13H2;1H/t7-;/m0./s1.
What are the key properties of (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 298.74 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).