6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide

C20H20ClN3O2S — CID 5268362

IUPAC6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C20H20ClN3O2S/c1-3-24(17-7-5-4-6-8-17)27(25,26)18-10-12-20(22-14-18)23-19-11-9-16(21)13-15(19)2/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyVXMALUZHPQQLMK-UHFFFAOYSA-N
MW401.92 g/mol
LogP5.00
Rot. Bonds6

About 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 5268362) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID5268362
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C20H20ClN3O2S/c1-3-24(17-7-5-4-6-8-17)27(25,26)18-10-12-20(22-14-18)23-19-11-9-16(21)13-15(19)2/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyVXMALUZHPQQLMK-UHFFFAOYSA-N
XLogP5.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267817
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4841961
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
CID 25378310
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268142
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 5268362) is 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2C)nc1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is VXMALUZHPQQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-3-24(17-7-5-4-6-8-17)27(25,26)18-10-12-20(22-14-18)23-19-11-9-16(21)13-15(19)2/h4-14H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 401.92 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 5268362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).