2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide

C20H18ClN3O3S — CID 42111340

IUPAC2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)Nc1ccccc1
InChIInChI=1S/C20H18ClN3O3S/c21-17-10-8-16(9-11-17)14-24(28(26,27)19-7-4-12-22-13-19)15-20(25)23-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,23,25)
InChIKeySUEBQHBMXKIGOI-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.56
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide

2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide (PubChem CID 42111340) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
PubChem CID42111340
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)Nc1ccccc1
InChIInChI=1S/C20H18ClN3O3S/c21-17-10-8-16(9-11-17)14-24(28(26,27)19-7-4-12-22-13-19)15-20(25)23-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,23,25)
InChIKeySUEBQHBMXKIGOI-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-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
methyl 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 1021052
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797716
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide (CID 42111340) is 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide is O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)Nc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
The InChIKey is SUEBQHBMXKIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-17-10-8-16(9-11-17)14-24(28(26,27)19-7-4-12-22-13-19)15-20(25)23-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide 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-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 42111340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).