2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide

C13H19Br2NO3S — CID 61061226

IUPAC2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO3S/c1-4-10(2)16(7-8-19-3)20(17,18)13-6-5-11(14)9-12(13)15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyRGXFKHPRLCKHKW-UHFFFAOYSA-N
MW429.17 g/mol
LogP3.65
Rot. Bonds7

About 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide

2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61061226) has the molecular formula C13H19Br2NO3S and a molecular weight of 429.17 g/mol. Its IUPAC name is 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61061226
Molecular FormulaC13H19Br2NO3S
Molecular Weight429.17 g/mol
Exact Mass426.95
IUPAC Name2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO3S/c1-4-10(2)16(7-8-19-3)20(17,18)13-6-5-11(14)9-12(13)15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyRGXFKHPRLCKHKW-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-butan-2-yl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 116528510
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 102919797
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 62157610
2-bromo-N-ethyl-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060177
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-amino-N-butan-2-yl-5-chloro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 114379391
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide (CID 61061226) is 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide is CCC(C)N(CCOC)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is RGXFKHPRLCKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO3S/c1-4-10(2)16(7-8-19-3)20(17,18)13-6-5-11(14)9-12(13)15/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide?
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 429.17 g/mol, XLogP of 3.65, 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-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61061226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).