2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

C15H16ClN3O3S — CID 1073007

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O3S/c1-19(23(21,22)14-6-4-13(16)5-7-14)11-15(20)18-10-12-3-2-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyUITSRJRERAPCID-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.67
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1073007) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1073007
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O3S/c1-19(23(21,22)14-6-4-13(16)5-7-14)11-15(20)18-10-12-3-2-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyUITSRJRERAPCID-UHFFFAOYSA-N
XLogP1.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
1-[4-[(4-chlorophenyl)methyl-methylsulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66611091
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 41446698
3-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 4783728
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1330837
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 1073007) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UITSRJRERAPCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-19(23(21,22)14-6-4-13(16)5-7-14)11-15(20)18-10-12-3-2-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 353.83 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1073007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).