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

C12H15ClF2N2O3S — CID 102977579

IUPAC(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClF2N2O3S/c13-10-6-9(3-4-11(10)20-12(14)15)21(18,19)17-5-1-2-8(16)7-17/h3-4,6,8,12H,1-2,5,7,16H2/t8-/m1/s1
InChIKeyKTAUXRWUXARJQF-MRVPVSSYSA-N
MW340.78 g/mol
LogP2.05
Rot. Bonds4

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

(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine (PubChem CID 102977579) has the molecular formula C12H15ClF2N2O3S and a molecular weight of 340.78 g/mol. Its IUPAC name is (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
PubChem CID102977579
Molecular FormulaC12H15ClF2N2O3S
Molecular Weight340.78 g/mol
Exact Mass340.05
IUPAC Name(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClF2N2O3S/c13-10-6-9(3-4-11(10)20-12(14)15)21(18,19)17-5-1-2-8(16)7-17/h3-4,6,8,12H,1-2,5,7,16H2/t8-/m1/s1
InChIKeyKTAUXRWUXARJQF-MRVPVSSYSA-N
XLogP2.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115301754
(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993450
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
CID 120874368
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714814
1-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977546
1-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583103
4-(3-aminopiperidin-1-yl)sulfonyl-2-chlorobenzoic acid
CID 107090004
[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 55681773
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-ol
CID 103871459

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine (CID 102977579) is (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine is N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
The InChIKey is KTAUXRWUXARJQF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3S/c13-10-6-9(3-4-11(10)20-12(14)15)21(18,19)17-5-1-2-8(16)7-17/h3-4,6,8,12H,1-2,5,7,16H2/t8-/m1/s1.
What are the key properties of (3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine?
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine has a molecular weight of 340.78 g/mol, XLogP of 2.05, 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]sulfonylpiperidin-3-amine is sourced from PubChem (CID 102977579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).