N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide

C10H12BrFN2O2S — CID 115663199

IUPACN-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)N1CCCC1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-7-8(3-4-10(9)12)13-17(15,16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6H2
InChIKeyHOILMEKFRZBVPO-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.34
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide

N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide (PubChem CID 115663199) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
PubChem CID115663199
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC NameN-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)N1CCCC1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-7-8(3-4-10(9)12)13-17(15,16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6H2
InChIKeyHOILMEKFRZBVPO-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-(5-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
CID 43550963
3-bromo-4-fluoro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 104777744

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide (CID 115663199) is N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1ccc(F)c(Br)c1)N1CCCC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide?
The InChIKey is HOILMEKFRZBVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S/c11-9-7-8(3-4-10(9)12)13-17(15,16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide?
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide has a molecular weight of 323.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115663199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).