1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine

C13H18BrClN2O3S — CID 62536928

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1
InChIInChI=1S/C13H18BrClN2O3S/c1-16-10-4-3-5-17(8-10)21(18,19)12-7-9(15)6-11(14)13(12)20-2/h6-7,10,16H,3-5,8H2,1-2H3
InChIKeyPXNPMCRKNOTVMB-UHFFFAOYSA-N
MW397.72 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine

1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 62536928) has the molecular formula C13H18BrClN2O3S and a molecular weight of 397.72 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID62536928
Molecular FormulaC13H18BrClN2O3S
Molecular Weight397.72 g/mol
Exact Mass395.99
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1
InChIInChI=1S/C13H18BrClN2O3S/c1-16-10-4-3-5-17(8-10)21(18,19)12-7-9(15)6-11(14)13(12)20-2/h6-7,10,16H,3-5,8H2,1-2H3
InChIKeyPXNPMCRKNOTVMB-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
CID 43502998
(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
CID 102977592
1-[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977678
ethyl 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55544338
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241
1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715299
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55913680
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine (CID 62536928) is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is PXNPMCRKNOTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O3S/c1-16-10-4-3-5-17(8-10)21(18,19)12-7-9(15)6-11(14)13(12)20-2/h6-7,10,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 397.72 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 62536928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).