5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide

C11H16BrNO3S — CID 882981

IUPAC5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO3S/c1-4-13(5-2)17(14,15)11-8-9(12)6-7-10(11)16-3/h6-8H,4-5H2,1-3H3
InChIKeyOITONLXAEQJJKF-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.49
Rot. Bonds5

About 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide

5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide (PubChem CID 882981) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
PubChem CID882981
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO3S/c1-4-13(5-2)17(14,15)11-8-9(12)6-7-10(11)16-3/h6-8H,4-5H2,1-3H3
InChIKeyOITONLXAEQJJKF-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide (CID 882981) is 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide?
The InChIKey is OITONLXAEQJJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-4-13(5-2)17(14,15)11-8-9(12)6-7-10(11)16-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide?
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 882981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).