2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide

C13H15BrF2N2O2S — CID 61217293

IUPAC2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2S/c14-9-6-8(15)7-10(16)13(9)21(19,20)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2
InChIKeyBGFIWMPBXRFMQK-UHFFFAOYSA-N
MW381.24 g/mol
LogP2.24
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide (PubChem CID 61217293) has the molecular formula C13H15BrF2N2O2S and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
PubChem CID61217293
Molecular FormulaC13H15BrF2N2O2S
Molecular Weight381.24 g/mol
Exact Mass380.00
IUPAC Name2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2S/c14-9-6-8(15)7-10(16)13(9)21(19,20)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2
InChIKeyBGFIWMPBXRFMQK-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79117967
2-bromo-N-(1,1-dioxothian-4-yl)-4,6-difluorobenzenesulfonamide
CID 60824231
2-bromo-N-(1,1-dioxothian-3-yl)-4,6-difluorobenzenesulfonamide
CID 63924568
4-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzenesulfonamide
CID 82845893
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 83081941
N-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967491
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
CID 81258644
methyl 1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409886

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide (CID 61217293) is 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide is O=S(=O)(NC1CCN2CCCC12)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
The InChIKey is BGFIWMPBXRFMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2S/c14-9-6-8(15)7-10(16)13(9)21(19,20)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2.
What are the key properties of 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide has a molecular weight of 381.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide is sourced from PubChem (CID 61217293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).