2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide

C13H12Br2N2O2S — CID 80708249

IUPAC2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccncc2C)cc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-8-5-11(15)13(6-10(8)14)20(18,19)17-12-3-4-16-7-9(12)2/h3-7H,1-2H3,(H,16,17)
InChIKeyMFAMDSFEINOMMY-UHFFFAOYSA-N
MW420.13 g/mol
LogP4.02
Rot. Bonds3

About 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide

2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 80708249) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID80708249
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC Name2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccncc2C)cc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-8-5-11(15)13(6-10(8)14)20(18,19)17-12-3-4-16-7-9(12)2/h3-7H,1-2H3,(H,16,17)
InChIKeyMFAMDSFEINOMMY-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 106998225

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 80708249) is 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccncc2C)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is MFAMDSFEINOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-8-5-11(15)13(6-10(8)14)20(18,19)17-12-3-4-16-7-9(12)2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 80708249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).