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

C13H18BrFN2O2S — CID 119976636

IUPAC5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O2S/c1-2-7-17(11-5-6-16-9-11)20(18,19)13-8-10(14)3-4-12(13)15/h3-4,8,11,16H,2,5-7,9H2,1H3
InChIKeyGAIMZYOIAXKNNP-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.35
Rot. Bonds5

About 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 119976636) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID119976636
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O2S/c1-2-7-17(11-5-6-16-9-11)20(18,19)13-8-10(14)3-4-12(13)15/h3-4,8,11,16H,2,5-7,9H2,1H3
InChIKeyGAIMZYOIAXKNNP-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 119976636) is 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is GAIMZYOIAXKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-2-7-17(11-5-6-16-9-11)20(18,19)13-8-10(14)3-4-12(13)15/h3-4,8,11,16H,2,5-7,9H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119976636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).