1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

C12H17BrClFN2O2S — CID 119984110

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCC1N.Cl
InChIInChI=1S/C12H16BrFN2O2S.ClH/c1-8-7-16(5-4-12(8)15)19(17,18)9-2-3-10(13)11(14)6-9;/h2-3,6,8,12H,4-5,7,15H2,1H3;1H
InChIKeyQZIAWOJWRUVCMF-UHFFFAOYSA-N
MW387.70 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119984110) has the molecular formula C12H17BrClFN2O2S and a molecular weight of 387.70 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119984110
Molecular FormulaC12H17BrClFN2O2S
Molecular Weight387.70 g/mol
Exact Mass385.99
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCC1N.Cl
InChIInChI=1S/C12H16BrFN2O2S.ClH/c1-8-7-16(5-4-12(8)15)19(17,18)9-2-3-10(13)11(14)6-9;/h2-3,6,8,12H,4-5,7,15H2,1H3;1H
InChIKeyQZIAWOJWRUVCMF-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride 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-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
CID 103697971
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
2-[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]acetic acid
CID 106703051

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (CID 119984110) is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCC1N.Cl.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is QZIAWOJWRUVCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S.ClH/c1-8-7-16(5-4-12(8)15)19(17,18)9-2-3-10(13)11(14)6-9;/h2-3,6,8,12H,4-5,7,15H2,1H3;1H.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 387.70 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).