5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C10H13BrClFN2O2S — CID 119967062

IUPAC5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O2S.ClH/c11-7-1-2-9(12)10(5-7)17(15,16)14-8-3-4-13-6-8;/h1-2,5,8,13-14H,3-4,6H2;1H
InChIKeyVSZHJWMZAJVFNH-UHFFFAOYSA-N
MW359.65 g/mol
LogP1.65
Rot. Bonds3

About 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119967062) has the molecular formula C10H13BrClFN2O2S and a molecular weight of 359.65 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119967062
Molecular FormulaC10H13BrClFN2O2S
Molecular Weight359.65 g/mol
Exact Mass357.96
IUPAC Name5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O2S.ClH/c11-7-1-2-9(12)10(5-7)17(15,16)14-8-3-4-13-6-8;/h1-2,5,8,13-14H,3-4,6H2;1H
InChIKeyVSZHJWMZAJVFNH-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
5-bromo-2-nitro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964575
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120707591
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119967062) is 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is VSZHJWMZAJVFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S.ClH/c11-7-1-2-9(12)10(5-7)17(15,16)14-8-3-4-13-6-8;/h1-2,5,8,13-14H,3-4,6H2;1H.
What are the key properties of 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 359.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119967062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).