2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide

C15H15Cl2N3O3S — CID 6464225

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SMILESCC(C(=O)Nc1cccnc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H15Cl2N3O3S/c1-10(15(21)19-12-4-3-7-18-9-12)20(24(2,22)23)14-8-11(16)5-6-13(14)17/h3-10H,1-2H3,(H,19,21)
InChIKeyIJORNUJBAIBYMC-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.18
Rot. Bonds5

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide (PubChem CID 6464225) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
PubChem CID6464225
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SMILESCC(C(=O)Nc1cccnc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H15Cl2N3O3S/c1-10(15(21)19-12-4-3-7-18-9-12)20(24(2,22)23)14-8-11(16)5-6-13(14)17/h3-10H,1-2H3,(H,19,21)
InChIKeyIJORNUJBAIBYMC-UHFFFAOYSA-N
XLogP3.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 42554746
(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 92679113
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 124561236
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 95119251
N-(3-chloro-2-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 132670639
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 124561299
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100503371
ethyl 2-chloro-5-[[(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 93486799
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 99950175
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide (CID 6464225) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide is CC(C(=O)Nc1cccnc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The InChIKey is IJORNUJBAIBYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-10(15(21)19-12-4-3-7-18-9-12)20(24(2,22)23)14-8-11(16)5-6-13(14)17/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide has a molecular weight of 388.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 6464225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).