2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H13Br2NO3S — CID 47305772

IUPAC2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKeyVRHZBAPIXJJNPI-UHFFFAOYSA-N
MW387.09 g/mol
LogP2.48
Rot. Bonds5

About 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 47305772) has the molecular formula C10H13Br2NO3S and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID47305772
Molecular FormulaC10H13Br2NO3S
Molecular Weight387.09 g/mol
Exact Mass384.90
IUPAC Name2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKeyVRHZBAPIXJJNPI-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
CID 61061226
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61127636
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 47305772) is 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is VRHZBAPIXJJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 387.09 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 47305772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).