1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine

C11H13BrCl2N2O2S — CID 120706112

IUPAC1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1
InChIInChI=1S/C11H13BrCl2N2O2S/c12-8-3-4-9(11(14)10(8)13)19(17,18)16-5-1-2-7(15)6-16/h3-4,7H,1-2,5-6,15H2
InChIKeyRSMDNJSLRSGVQP-UHFFFAOYSA-N
MW388.11 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine

1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine (PubChem CID 120706112) has the molecular formula C11H13BrCl2N2O2S and a molecular weight of 388.11 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
PubChem CID120706112
Molecular FormulaC11H13BrCl2N2O2S
Molecular Weight388.11 g/mol
Exact Mass385.93
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1
InChIInChI=1S/C11H13BrCl2N2O2S/c12-8-3-4-9(11(14)10(8)13)19(17,18)16-5-1-2-7(15)6-16/h3-4,7H,1-2,5-6,15H2
InChIKeyRSMDNJSLRSGVQP-UHFFFAOYSA-N
XLogP2.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706060
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
CID 102977592
1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine (CID 120706112) is 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine is NC1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine?
The InChIKey is RSMDNJSLRSGVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O2S/c12-8-3-4-9(11(14)10(8)13)19(17,18)16-5-1-2-7(15)6-16/h3-4,7H,1-2,5-6,15H2.
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine?
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine has a molecular weight of 388.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 120706112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).