2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide

C16H17Cl2N3O3S — CID 53281220

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccccn1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H17Cl2N3O3S/c1-11(16(22)20-10-13-5-3-4-8-19-13)21(25(2,23)24)15-9-12(17)6-7-14(15)18/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyJNYWIUMWNXGDSP-UHFFFAOYSA-N
MW402.30 g/mol
LogP2.86
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 53281220) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID53281220
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccccn1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H17Cl2N3O3S/c1-11(16(22)20-10-13-5-3-4-8-19-13)21(25(2,23)24)15-9-12(17)6-7-14(15)18/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyJNYWIUMWNXGDSP-UHFFFAOYSA-N
XLogP2.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118542
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118543
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165900
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823143
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 53281220) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)NCc1ccccn1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JNYWIUMWNXGDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-11(16(22)20-10-13-5-3-4-8-19-13)21(25(2,23)24)15-9-12(17)6-7-14(15)18/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 402.30 g/mol, XLogP of 2.86, 6 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-2-ylmethyl)propanamide is sourced from PubChem (CID 53281220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).