2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide

C13H9Br2ClFNO2S — CID 81427284

IUPAC2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Br
InChIInChI=1S/C13H9Br2ClFNO2S/c1-7-5-9(15)12(6-8(7)14)21(19,20)18-11-4-2-3-10(16)13(11)17/h2-6,18H,1H3
InChIKeyRABPJGCBEHFMPJ-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.11
Rot. Bonds3

About 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 81427284) has the molecular formula C13H9Br2ClFNO2S and a molecular weight of 457.55 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID81427284
Molecular FormulaC13H9Br2ClFNO2S
Molecular Weight457.55 g/mol
Exact Mass454.84
IUPAC Name2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Br
InChIInChI=1S/C13H9Br2ClFNO2S/c1-7-5-9(15)12(6-8(7)14)21(19,20)18-11-4-2-3-10(16)13(11)17/h2-6,18H,1H3
InChIKeyRABPJGCBEHFMPJ-UHFFFAOYSA-N
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
CID 66252214
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide (CID 81427284) is 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is RABPJGCBEHFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClFNO2S/c1-7-5-9(15)12(6-8(7)14)21(19,20)18-11-4-2-3-10(16)13(11)17/h2-6,18H,1H3.
What are the key properties of 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 457.55 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81427284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).