1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride

C11H14BrCl2FN2O2S — CID 120706060

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1
InChIInChI=1S/C11H13BrClFN2O2S.ClH/c12-8-4-10(14)11(5-9(8)13)19(17,18)16-3-1-2-7(15)6-16;/h4-5,7H,1-3,6,15H2;1H
InChIKeyYAYWBOUZQXGKOQ-UHFFFAOYSA-N
MW408.12 g/mol
LogP2.78
Rot. Bonds2

About 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120706060) has the molecular formula C11H14BrCl2FN2O2S and a molecular weight of 408.12 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120706060
Molecular FormulaC11H14BrCl2FN2O2S
Molecular Weight408.12 g/mol
Exact Mass405.93
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1
InChIInChI=1S/C11H13BrClFN2O2S.ClH/c12-8-4-10(14)11(5-9(8)13)19(17,18)16-3-1-2-7(15)6-16;/h4-5,7H,1-3,6,15H2;1H
InChIKeyYAYWBOUZQXGKOQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.12
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
CID 102977592
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 43455224
4-(3-aminopiperidin-1-yl)sulfonyl-3-fluorobenzoic acid
CID 79187784
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120706060) is 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is YAYWBOUZQXGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClFN2O2S.ClH/c12-8-4-10(14)11(5-9(8)13)19(17,18)16-3-1-2-7(15)6-16;/h4-5,7H,1-3,6,15H2;1H.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 408.12 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120706060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).