N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide

C11H14BrFN2O2S — CID 54972062

IUPACN-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)C1CCCNC1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-6-8(13)3-4-11(10)15-18(16,17)9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyFPTBKJGAHOUQSH-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.08
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide

N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide (PubChem CID 54972062) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
PubChem CID54972062
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC NameN-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)C1CCCNC1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-6-8(13)3-4-11(10)15-18(16,17)9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyFPTBKJGAHOUQSH-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
CID 155193788
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
CID 103415161
N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62085486
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide
CID 24699757
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide (CID 54972062) is N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)C1CCCNC1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide?
The InChIKey is FPTBKJGAHOUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-10-6-8(13)3-4-11(10)15-18(16,17)9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide?
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide has a molecular weight of 337.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 54972062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).