4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H12BrCl2NO3S — CID 54978994

IUPAC4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO3S/c1-14(3-4-17-2)18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyBZGFCOZWJUIHNI-UHFFFAOYSA-N
MW377.09 g/mol
LogP3.02
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 54978994) has the molecular formula C10H12BrCl2NO3S and a molecular weight of 377.09 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID54978994
Molecular FormulaC10H12BrCl2NO3S
Molecular Weight377.09 g/mol
Exact Mass374.91
IUPAC Name4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO3S/c1-14(3-4-17-2)18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyBZGFCOZWJUIHNI-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.09
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 54978994) is 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is BZGFCOZWJUIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO3S/c1-14(3-4-17-2)18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 377.09 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54978994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).