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

C12H17Br2NO3S — CID 63691305

IUPAC2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQOMYSUPEZAURHI-UHFFFAOYSA-N
MW415.15 g/mol
LogP3.26
Rot. Bonds7

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

2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide (PubChem CID 63691305) has the molecular formula C12H17Br2NO3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
PubChem CID63691305
Molecular FormulaC12H17Br2NO3S
Molecular Weight415.15 g/mol
Exact Mass412.93
IUPAC Name2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQOMYSUPEZAURHI-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 53.26
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

2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755380
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)benzenesulfonamide
CID 63690094

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide (CID 63691305) is 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The InChIKey is QOMYSUPEZAURHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide has a molecular weight of 415.15 g/mol, XLogP of 3.26, 7 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-ethylbenzenesulfonamide is sourced from PubChem (CID 63691305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).