N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide

C11H14BrFN2O2S — CID 107626850

IUPACN-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)C1CCNCC1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-2-1-8(13)7-11(10)15-18(16,17)9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyATBUCDUQKKETKO-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.08
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide

N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide (PubChem CID 107626850) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
PubChem CID107626850
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC NameN-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)C1CCNCC1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-2-1-8(13)7-11(10)15-18(16,17)9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyATBUCDUQKKETKO-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-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
CID 79049357
N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62085486
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
4-(2-bromo-5-fluorophenyl)piperidine
CID 84709377

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide (CID 107626850) is N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide is O=S(=O)(Nc1cc(F)ccc1Br)C1CCNCC1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide?
The InChIKey is ATBUCDUQKKETKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-10-2-1-8(13)7-11(10)15-18(16,17)9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide?
N-(2-bromo-5-fluorophenyl)piperidine-4-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-5-fluorophenyl)piperidine-4-sulfonamide is sourced from PubChem (CID 107626850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).