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

C14H15BrN2O2S — CID 45100413

IUPAC5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-9-5-4-6-16-14(9)17-20(18,19)13-8-12(15)10(2)7-11(13)3/h4-8H,1-3H3,(H,16,17)
InChIKeyFRGCHJQORMCCCD-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.57
Rot. Bonds3

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

5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 45100413) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID45100413
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-9-5-4-6-16-14(9)17-20(18,19)13-8-12(15)10(2)7-11(13)3/h4-8H,1-3H3,(H,16,17)
InChIKeyFRGCHJQORMCCCD-UHFFFAOYSA-N
XLogP3.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28828893
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362570
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 139014532
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 45100413) is 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1Br.
What is the InChIKey of 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is FRGCHJQORMCCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9-5-4-6-16-14(9)17-20(18,19)13-8-12(15)10(2)7-11(13)3/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 45100413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).