(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine

C11H13ClF2N2O3S — CID 115301754

IUPAC(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClF2N2O3S/c12-9-5-8(1-2-10(9)19-11(13)14)20(17,18)16-4-3-7(15)6-16/h1-2,5,7,11H,3-4,6,15H2/t7-/m1/s1
InChIKeyKABDWXKVJBPDJL-SSDOTTSWSA-N
MW326.75 g/mol
LogP1.66
Rot. Bonds4

About (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine

(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine (PubChem CID 115301754) has the molecular formula C11H13ClF2N2O3S and a molecular weight of 326.75 g/mol. Its IUPAC name is (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
PubChem CID115301754
Molecular FormulaC11H13ClF2N2O3S
Molecular Weight326.75 g/mol
Exact Mass326.03
IUPAC Name(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClF2N2O3S/c12-9-5-8(1-2-10(9)19-11(13)14)20(17,18)16-4-3-7(15)6-16/h1-2,5,7,11H,3-4,6,15H2/t7-/m1/s1
InChIKeyKABDWXKVJBPDJL-SSDOTTSWSA-N
XLogP1.66
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993450
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 102977579
1-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583103
1-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977546
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
CID 120874368
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714814
[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 55681773
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962514
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-ol
CID 103871459
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120725618

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine (CID 115301754) is (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
The InChIKey is KABDWXKVJBPDJL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClF2N2O3S/c12-9-5-8(1-2-10(9)19-11(13)14)20(17,18)16-4-3-7(15)6-16/h1-2,5,7,11H,3-4,6,15H2/t7-/m1/s1.
What are the key properties of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine has a molecular weight of 326.75 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115301754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).