5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide

C11H13BrCl2N2O2S — CID 120706363

IUPAC5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2S/c12-8-5-11(10(14)6-9(8)13)19(17,18)16-7-1-3-15-4-2-7/h5-7,15-16H,1-4H2
InChIKeyFBGMNNBJFSUAIY-UHFFFAOYSA-N
MW388.11 g/mol
LogP2.79
Rot. Bonds3

About 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide

5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 120706363) has the molecular formula C11H13BrCl2N2O2S and a molecular weight of 388.11 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID120706363
Molecular FormulaC11H13BrCl2N2O2S
Molecular Weight388.11 g/mol
Exact Mass385.93
IUPAC Name5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2S/c12-8-5-11(10(14)6-9(8)13)19(17,18)16-7-1-3-15-4-2-7/h5-7,15-16H,1-4H2
InChIKeyFBGMNNBJFSUAIY-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119960718
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
3-bromo-2-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120706286
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide (CID 120706363) is 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1cc(Br)c(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is FBGMNNBJFSUAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O2S/c12-8-5-11(10(14)6-9(8)13)19(17,18)16-7-1-3-15-4-2-7/h5-7,15-16H,1-4H2.
What are the key properties of 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide?
5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 388.11 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 120706363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).