5-bromo-3-chloro-2-pentoxybenzenesulfonamide

C11H15BrClNO3S — CID 43164418

IUPAC5-bromo-3-chloro-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrClNO3S/c1-2-3-4-5-17-11-9(13)6-8(12)7-10(11)18(14,15)16/h6-7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyQHISMDRJUMNHIY-UHFFFAOYSA-N
MW356.67 g/mol
LogP3.32
Rot. Bonds6

About 5-bromo-3-chloro-2-pentoxybenzenesulfonamide

5-bromo-3-chloro-2-pentoxybenzenesulfonamide (PubChem CID 43164418) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-pentoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-pentoxybenzenesulfonamide
PubChem CID43164418
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name5-bromo-3-chloro-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrClNO3S/c1-2-3-4-5-17-11-9(13)6-8(12)7-10(11)18(14,15)16/h6-7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyQHISMDRJUMNHIY-UHFFFAOYSA-N
XLogP3.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-pentoxybenzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-pentoxybenzenesulfonamide (CID 43164418) is 5-bromo-3-chloro-2-pentoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-pentoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-pentoxybenzenesulfonamide is CCCCCOc1c(Cl)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-3-chloro-2-pentoxybenzenesulfonamide?
The InChIKey is QHISMDRJUMNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-2-3-4-5-17-11-9(13)6-8(12)7-10(11)18(14,15)16/h6-7H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-3-chloro-2-pentoxybenzenesulfonamide?
5-bromo-3-chloro-2-pentoxybenzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-pentoxybenzenesulfonamide is sourced from PubChem (CID 43164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).