(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine

C12H15BrFNO2S — CID 93302829

IUPAC(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C12H15BrFNO2S/c1-9-3-2-6-15(8-9)18(16,17)12-5-4-10(14)7-11(12)13/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyVPQSITJZSXPFHV-SECBINFHSA-N
MW336.23 g/mol
LogP3.01
Rot. Bonds2

About (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine

(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine (PubChem CID 93302829) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
PubChem CID93302829
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C12H15BrFNO2S/c1-9-3-2-6-15(8-9)18(16,17)12-5-4-10(14)7-11(12)13/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyVPQSITJZSXPFHV-SECBINFHSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine 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

(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-(2-bromo-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 61060723
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113254437
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
2-(2-bromo-4-fluorophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855696
3-fluoro-4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 79187207
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine (CID 93302829) is (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine is C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1.
What is the InChIKey of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine?
The InChIKey is VPQSITJZSXPFHV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c1-9-3-2-6-15(8-9)18(16,17)12-5-4-10(14)7-11(12)13/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine?
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine has a molecular weight of 336.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 93302829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).