N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide

C15H15Br2NO3S — CID 100695379

IUPACN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide
SMILESCOCCc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15Br2NO3S/c1-21-8-7-11-9-12(16)10-14(17)15(11)18-22(19,20)13-5-3-2-4-6-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyHQYTYUHYCVJIOZ-UHFFFAOYSA-N
MW449.16 g/mol
LogP4.20
Rot. Bonds6

About N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide

N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide (PubChem CID 100695379) has the molecular formula C15H15Br2NO3S and a molecular weight of 449.16 g/mol. Its IUPAC name is N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide
PubChem CID100695379
Molecular FormulaC15H15Br2NO3S
Molecular Weight449.16 g/mol
Exact Mass446.91
IUPAC NameN-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide
SMILESCOCCc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15Br2NO3S/c1-21-8-7-11-9-12(16)10-14(17)15(11)18-22(19,20)13-5-3-2-4-6-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyHQYTYUHYCVJIOZ-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]pyrrolidine-1-carboxamide
CID 100739993
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 65481192
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
CID 86806993
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
3,5-dibromo-2-(2-methoxyethylsulfonylamino)benzoic acid
CID 63111807
2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 81241100
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide (CID 100695379) is N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide is COCCc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide?
The InChIKey is HQYTYUHYCVJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO3S/c1-21-8-7-11-9-12(16)10-14(17)15(11)18-22(19,20)13-5-3-2-4-6-13/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide?
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide has a molecular weight of 449.16 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 100695379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).