3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide

C13H10BrCl2NO2S — CID 175850282

IUPAC3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide
SMILESCc1ccc(-c2cc(Cl)cc(S(N)(=O)=O)c2Cl)cc1Br
InChIInChI=1S/C13H10BrCl2NO2S/c1-7-2-3-8(4-11(7)14)10-5-9(15)6-12(13(10)16)20(17,18)19/h2-6H,1H3,(H2,17,18,19)
InChIKeyPLTPOEWVNCWWRS-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.38
Rot. Bonds2

About 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide

3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 175850282) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide
PubChem CID175850282
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide
SMILESCc1ccc(-c2cc(Cl)cc(S(N)(=O)=O)c2Cl)cc1Br
InChIInChI=1S/C13H10BrCl2NO2S/c1-7-2-3-8(4-11(7)14)10-5-9(15)6-12(13(10)16)20(17,18)19/h2-6H,1H3,(H2,17,18,19)
InChIKeyPLTPOEWVNCWWRS-UHFFFAOYSA-N
XLogP4.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide (CID 175850282) is 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide is Cc1ccc(-c2cc(Cl)cc(S(N)(=O)=O)c2Cl)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is PLTPOEWVNCWWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c1-7-2-3-8(4-11(7)14)10-5-9(15)6-12(13(10)16)20(17,18)19/h2-6H,1H3,(H2,17,18,19).
What are the key properties of 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide?
3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 175850282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).