6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide

C19H18BrN3O2S — CID 5268427

IUPAC6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C19H18BrN3O2S/c1-2-23(17-6-4-3-5-7-17)26(24,25)18-12-13-19(21-14-18)22-16-10-8-15(20)9-11-16/h3-14H,2H2,1H3,(H,21,22)
InChIKeyDJNSEHVOCGVNDO-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.80
Rot. Bonds6

About 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 5268427) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID5268427
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C19H18BrN3O2S/c1-2-23(17-6-4-3-5-7-17)26(24,25)18-12-13-19(21-14-18)22-16-10-8-15(20)9-11-16/h3-14H,2H2,1H3,(H,21,22)
InChIKeyDJNSEHVOCGVNDO-UHFFFAOYSA-N
XLogP4.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide 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

N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
CID 25378310
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-fluorophenyl)urea
CID 27165441
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 5268427) is 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is DJNSEHVOCGVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-2-23(17-6-4-3-5-7-17)26(24,25)18-12-13-19(21-14-18)22-16-10-8-15(20)9-11-16/h3-14H,2H2,1H3,(H,21,22).
What are the key properties of 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 432.34 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 5268427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).