N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide

C20H19N5O3S — CID 25378310

IUPACN-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc1
InChIInChI=1S/C20H19N5O3S/c1-2-25(15-6-4-3-5-7-15)29(27,28)16-9-11-19(21-13-16)22-14-8-10-17-18(12-14)24-20(26)23-17/h3-13H,2H2,1H3,(H,21,22)(H2,23,24,26)
InChIKeyJYORTWWCLDFHKI-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.21
Rot. Bonds6

About N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide (PubChem CID 25378310) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
PubChem CID25378310
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc1
InChIInChI=1S/C20H19N5O3S/c1-2-25(15-6-4-3-5-7-15)29(27,28)16-9-11-19(21-13-16)22-14-8-10-17-18(12-14)24-20(26)23-17/h3-13H,2H2,1H3,(H,21,22)(H2,23,24,26)
InChIKeyJYORTWWCLDFHKI-UHFFFAOYSA-N
XLogP3.21
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-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

6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
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-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-fluorophenyl)urea
CID 27165441
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide (CID 25378310) is N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc1.
What is the InChIKey of N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide?
The InChIKey is JYORTWWCLDFHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-2-25(15-6-4-3-5-7-15)29(27,28)16-9-11-19(21-13-16)22-14-8-10-17-18(12-14)24-20(26)23-17/h3-13H,2H2,1H3,(H,21,22)(H2,23,24,26).
What are the key properties of N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 25378310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).