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

C13H19BrFN3O2S — CID 106491455

IUPAC1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2N)CC1
InChIInChI=1S/C13H19BrFN3O2S/c1-17(2)9-3-5-18(6-4-9)21(19,20)13-7-10(14)11(15)8-12(13)16/h7-9H,3-6,16H2,1-2H3
InChIKeyHJVUULMIMSTNSI-UHFFFAOYSA-N
MW380.28 g/mol
LogP1.89
Rot. Bonds3

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

1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (PubChem CID 106491455) has the molecular formula C13H19BrFN3O2S and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
PubChem CID106491455
Molecular FormulaC13H19BrFN3O2S
Molecular Weight380.28 g/mol
Exact Mass379.04
IUPAC Name1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2N)CC1
InChIInChI=1S/C13H19BrFN3O2S/c1-17(2)9-3-5-18(6-4-9)21(19,20)13-7-10(14)11(15)8-12(13)16/h7-9H,3-6,16H2,1-2H3
InChIKeyHJVUULMIMSTNSI-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

4-bromo-2-(3-ethylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492036
4-bromo-5-fluoro-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 106492202
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 61110983
4-bromo-2-(3,4-dimethylpiperazin-1-yl)sulfonyl-5-fluoroaniline
CID 106491777
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
4-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-5-fluoroaniline
CID 106491736
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 116530450
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
4-bromo-2-(2,5-dimethylpiperidin-1-yl)sulfonyl-5-fluoroaniline
CID 106491880
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (CID 106491455) is 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2N)CC1.
What is the InChIKey of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The InChIKey is HJVUULMIMSTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3O2S/c1-17(2)9-3-5-18(6-4-9)21(19,20)13-7-10(14)11(15)8-12(13)16/h7-9H,3-6,16H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-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-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 106491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).