5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide

C11H14BrClN2O2S — CID 119960783

IUPAC5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClN2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyGJMPZJAKNXXVTD-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.13
Rot. Bonds3

About 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide

5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 119960783) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID119960783
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClN2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyGJMPZJAKNXXVTD-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 120706363
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
5-bromo-2-chlorobenzenesulfonyl chloride;5-bromo-2-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 87549933
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide (CID 119960783) is 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is GJMPZJAKNXXVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide?
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 353.67 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119960783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).