N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide

C22H19ClN2O4S — CID 24676607

IUPACN-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19ClN2O4S/c23-17-10-12-18(13-11-17)30(28,29)15-21(26)25-20-9-5-4-8-19(20)22(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,26)
InChIKeyNIFTVGUTSUXXTB-UHFFFAOYSA-N
MW442.92 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide

N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide (PubChem CID 24676607) has the molecular formula C22H19ClN2O4S and a molecular weight of 442.92 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
PubChem CID24676607
Molecular FormulaC22H19ClN2O4S
Molecular Weight442.92 g/mol
Exact Mass442.08
IUPAC NameN-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19ClN2O4S/c23-17-10-12-18(13-11-17)30(28,29)15-21(26)25-20-9-5-4-8-19(20)22(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,26)
InChIKeyNIFTVGUTSUXXTB-UHFFFAOYSA-N
XLogP3.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 23823171
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189444
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-benzylbenzamide
CID 126033575
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-benzyl-2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126034218
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
CID 17309531
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide (CID 24676607) is N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide?
The InChIKey is NIFTVGUTSUXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S/c23-17-10-12-18(13-11-17)30(28,29)15-21(26)25-20-9-5-4-8-19(20)22(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,26).
What are the key properties of N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide?
N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide has a molecular weight of 442.92 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide is sourced from PubChem (CID 24676607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).