2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide

C11H14BrClN2O2S — CID 120999547

IUPAC2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1c(Cl)cccc1Br
InChIInChI=1S/C11H14BrClN2O2S/c12-9-4-1-5-10(13)11(9)18(16,17)15-8-3-2-6-14-7-8/h1,4-5,8,14-15H,2-3,6-7H2
InChIKeyOIGATBLYIOLZSY-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.13
Rot. Bonds3

About 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide

2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 120999547) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide
PubChem CID120999547
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1c(Cl)cccc1Br
InChIInChI=1S/C11H14BrClN2O2S/c12-9-4-1-5-10(13)11(9)18(16,17)15-8-3-2-6-14-7-8/h1,4-5,8,14-15H,2-3,6-7H2
InChIKeyOIGATBLYIOLZSY-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide (CID 120999547) is 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide is O=S(=O)(NC1CCCNC1)c1c(Cl)cccc1Br.
What is the InChIKey of 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is OIGATBLYIOLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-9-4-1-5-10(13)11(9)18(16,17)15-8-3-2-6-14-7-8/h1,4-5,8,14-15H,2-3,6-7H2.
What are the key properties of 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide?
2-bromo-6-chloro-N-piperidin-3-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 2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 120999547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).