1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine

C13H19BrFN3O2S — CID 116530450

IUPAC1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(S(=O)(=O)c2cc(N)c(Br)cc2F)C1
InChIInChI=1S/C13H19BrFN3O2S/c1-17(2)9-4-3-5-18(8-9)21(19,20)13-7-12(16)10(14)6-11(13)15/h6-7,9H,3-5,8,16H2,1-2H3
InChIKeyOUWBGWCHTXNIHM-UHFFFAOYSA-N
MW380.28 g/mol
LogP1.89
Rot. Bonds3

About 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine

1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine (PubChem CID 116530450) has the molecular formula C13H19BrFN3O2S and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
PubChem CID116530450
Molecular FormulaC13H19BrFN3O2S
Molecular Weight380.28 g/mol
Exact Mass379.04
IUPAC Name1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(S(=O)(=O)c2cc(N)c(Br)cc2F)C1
InChIInChI=1S/C13H19BrFN3O2S/c1-17(2)9-4-3-5-18(8-9)21(19,20)13-7-12(16)10(14)6-11(13)15/h6-7,9H,3-5,8,16H2,1-2H3
InChIKeyOUWBGWCHTXNIHM-UHFFFAOYSA-N
XLogP1.89
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 114625870
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
CID 116529299
2-bromo-5-(4-ethylazepan-1-yl)sulfonyl-4-fluoroaniline
CID 116530384
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
2-bromo-4-fluoro-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 116529643
2-bromo-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-fluoroaniline
CID 116530376
1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 106491455
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine (CID 116530450) is 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(S(=O)(=O)c2cc(N)c(Br)cc2F)C1.
What is the InChIKey of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The InChIKey is OUWBGWCHTXNIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3O2S/c1-17(2)9-4-3-5-18(8-9)21(19,20)13-7-12(16)10(14)6-11(13)15/h6-7,9H,3-5,8,16H2,1-2H3.
What are the key properties of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine has a molecular weight of 380.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 116530450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).