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

C11H15Br2NO3S — CID 81062460

IUPAC2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPCIZYUYMDKETJJ-UHFFFAOYSA-N
MW401.12 g/mol
LogP2.87
Rot. Bonds6

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

2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 81062460) has the molecular formula C11H15Br2NO3S and a molecular weight of 401.12 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
PubChem CID81062460
Molecular FormulaC11H15Br2NO3S
Molecular Weight401.12 g/mol
Exact Mass398.91
IUPAC Name2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPCIZYUYMDKETJJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (CID 81062460) is 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is PCIZYUYMDKETJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 401.12 g/mol, XLogP of 2.87, 6 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-ethoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81062460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).