3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide

C10H12BrFN2O2S — CID 120707591

IUPAC3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cccc(Br)c1F
InChIInChI=1S/C10H12BrFN2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-5-13-6-7/h1-3,7,13-14H,4-6H2
InChIKeyVCSFDHKZYQEENR-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.23
Rot. Bonds3

About 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide

3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 120707591) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID120707591
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC Name3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cccc(Br)c1F
InChIInChI=1S/C10H12BrFN2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-5-13-6-7/h1-3,7,13-14H,4-6H2
InChIKeyVCSFDHKZYQEENR-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-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707137
3-bromo-2-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120706286
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide (CID 120707591) is 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide is O=S(=O)(NC1CCNC1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is VCSFDHKZYQEENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-5-13-6-7/h1-3,7,13-14H,4-6H2.
What are the key properties of 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
3-bromo-2-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 3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 120707591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).