4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide

C10H12BrFN2O2S — CID 103828887

IUPAC4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-2-1-8(5-10(9)12)17(15,16)14-7-3-4-13-6-7/h1-2,5,7,13-14H,3-4,6H2
InChIKeyFXUGJWZRSWAAHF-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.23
Rot. Bonds3

About 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide

4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 103828887) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID103828887
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC Name4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-2-1-8(5-10(9)12)17(15,16)14-7-3-4-13-6-7/h1-2,5,7,13-14H,3-4,6H2
InChIKeyFXUGJWZRSWAAHF-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
3-acetyl-4-bromo-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 75449847
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646
N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 120707655
3-bromo-4-ethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967107
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide (CID 103828887) is 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide is O=S(=O)(NC1CCNC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is FXUGJWZRSWAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S/c11-9-2-1-8(5-10(9)12)17(15,16)14-7-3-4-13-6-7/h1-2,5,7,13-14H,3-4,6H2.
What are the key properties of 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 323.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 103828887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).