3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C14H18BrClN2O4S — CID 39668329

IUPAC3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C14H18BrClN2O4S/c1-22-14-11(15)7-10(16)8-12(14)23(20,21)17-9-13(19)18-5-3-2-4-6-18/h7-8,17H,2-6,9H2,1H3
InChIKeyYBXOXPJOEVKWSQ-UHFFFAOYSA-N
MW425.73 g/mol
LogP2.40
Rot. Bonds5

About 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 39668329) has the molecular formula C14H18BrClN2O4S and a molecular weight of 425.73 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID39668329
Molecular FormulaC14H18BrClN2O4S
Molecular Weight425.73 g/mol
Exact Mass423.99
IUPAC Name3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C14H18BrClN2O4S/c1-22-14-11(15)7-10(16)8-12(14)23(20,21)17-9-13(19)18-5-3-2-4-6-18/h7-8,17H,2-6,9H2,1H3
InChIKeyYBXOXPJOEVKWSQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 39668329) is 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is YBXOXPJOEVKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O4S/c1-22-14-11(15)7-10(16)8-12(14)23(20,21)17-9-13(19)18-5-3-2-4-6-18/h7-8,17H,2-6,9H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 425.73 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 39668329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).