(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine

C12H16BrClN2O3S — CID 102977592

IUPAC(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C12H16BrClN2O3S/c1-19-12-10(13)5-8(14)6-11(12)20(17,18)16-4-2-3-9(15)7-16/h5-6,9H,2-4,7,15H2,1H3/t9-/m1/s1
InChIKeyMDQPAICINMYEQZ-SECBINFHSA-N
MW383.70 g/mol
LogP2.22
Rot. Bonds3

About (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine

(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine (PubChem CID 102977592) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
PubChem CID102977592
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C12H16BrClN2O3S/c1-19-12-10(13)5-8(14)6-11(12)20(17,18)16-4-2-3-9(15)7-16/h5-6,9H,2-4,7,15H2,1H3/t9-/m1/s1
InChIKeyMDQPAICINMYEQZ-SECBINFHSA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
CID 43502998
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536928
ethyl 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55544338
1-[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977678
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706060
4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 55735041
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine (CID 102977592) is (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine is COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine?
The InChIKey is MDQPAICINMYEQZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-19-12-10(13)5-8(14)6-11(12)20(17,18)16-4-2-3-9(15)7-16/h5-6,9H,2-4,7,15H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine?
(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine has a molecular weight of 383.70 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 102977592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).