2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide

C15H16ClN3O3S — CID 22300039

IUPAC2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CNCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C15H16ClN3O3S/c16-12-4-6-14(7-5-12)23(21,22)11-17-10-15(20)19-9-13-3-1-2-8-18-13/h1-8,17H,9-11H2,(H,19,20)
InChIKeyGHHLVGJELHYLJK-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.37
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 22300039) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID22300039
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CNCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C15H16ClN3O3S/c16-12-4-6-14(7-5-12)23(21,22)11-17-10-15(20)19-9-13-3-1-2-8-18-13/h1-8,17H,9-11H2,(H,19,20)
InChIKeyGHHLVGJELHYLJK-UHFFFAOYSA-N
XLogP1.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 17309406
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30561057
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine
CID 88656932
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 23401849
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 22300039) is 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide is O=C(CNCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GHHLVGJELHYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-12-4-6-14(7-5-12)23(21,22)11-17-10-15(20)19-9-13-3-1-2-8-18-13/h1-8,17H,9-11H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 353.83 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 22300039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).