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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Related Compounds

4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 75387153
4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
CID 93302282
4-bromo-2,6-dichloro-N-ethylbenzene-1-sulfonamide
CID 2448035
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 56373000
4-bromo-2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 60728882
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61216400
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61216582
4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61216962
4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384513
4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
CID 103081918
4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107483509
4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 107492750

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).