4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C13H17BrCl2N2O2S — CID 61221311

IUPAC4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O2S/c1-9(8-18-4-2-3-5-18)17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17H,2-5,8H2,1H3
InChIKeyLBXSADVKSDVGPM-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.52
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61221311) has the molecular formula C13H17BrCl2N2O2S and a molecular weight of 416.17 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61221311
Molecular FormulaC13H17BrCl2N2O2S
Molecular Weight416.17 g/mol
Exact Mass413.96
IUPAC Name4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O2S/c1-9(8-18-4-2-3-5-18)17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17H,2-5,8H2,1H3
InChIKeyLBXSADVKSDVGPM-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
3-amino-5-chloro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 114379335
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 61221311) is 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCCC1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is LBXSADVKSDVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O2S/c1-9(8-18-4-2-3-5-18)17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17H,2-5,8H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 416.17 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61221311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).