2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide

C12H7Br2Cl2NO2S — CID 60823150

IUPAC2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2Cl2NO2S/c13-7-4-5-11(8(14)6-7)20(18,19)17-10-3-1-2-9(15)12(10)16/h1-6,17H
InChIKeyLUYYECPPGLKTQO-UHFFFAOYSA-N
MW459.97 g/mol
LogP5.32
Rot. Bonds3

About 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide

2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide (PubChem CID 60823150) has the molecular formula C12H7Br2Cl2NO2S and a molecular weight of 459.97 g/mol. Its IUPAC name is 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
PubChem CID60823150
Molecular FormulaC12H7Br2Cl2NO2S
Molecular Weight459.97 g/mol
Exact Mass456.79
IUPAC Name2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2Cl2NO2S/c13-7-4-5-11(8(14)6-7)20(18,19)17-10-3-1-2-9(15)12(10)16/h1-6,17H
InChIKeyLUYYECPPGLKTQO-UHFFFAOYSA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.97
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106030714
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
CID 60984177
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide (CID 60823150) is 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The InChIKey is LUYYECPPGLKTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl2NO2S/c13-7-4-5-11(8(14)6-7)20(18,19)17-10-3-1-2-9(15)12(10)16/h1-6,17H.
What are the key properties of 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide has a molecular weight of 459.97 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 60823150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).