2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide

C20H18ClN3O3S — CID 2521158

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccnc1
InChIInChI=1S/C20H18ClN3O3S/c21-17-8-10-19(11-9-17)28(26,27)24(14-16-5-2-1-3-6-16)15-20(25)23-18-7-4-12-22-13-18/h1-13H,14-15H2,(H,23,25)
InChIKeyKJKRHKBXWYKHSU-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.56
Rot. Bonds7

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide (PubChem CID 2521158) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
PubChem CID2521158
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccnc1
InChIInChI=1S/C20H18ClN3O3S/c21-17-8-10-19(11-9-17)28(26,27)24(14-16-5-2-1-3-6-16)15-20(25)23-18-7-4-12-22-13-18/h1-13H,14-15H2,(H,23,25)
InChIKeyKJKRHKBXWYKHSU-UHFFFAOYSA-N
XLogP3.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111340
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 126011905
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
CID 1287522
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide (CID 2521158) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccnc1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
The InChIKey is KJKRHKBXWYKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-17-8-10-19(11-9-17)28(26,27)24(14-16-5-2-1-3-6-16)15-20(25)23-18-7-4-12-22-13-18/h1-13H,14-15H2,(H,23,25).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide has a molecular weight of 415.90 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2521158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).