4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide

C23H21Cl2N3O4S — CID 126012394

IUPAC4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H21Cl2N3O4S/c1-15-2-9-19(10-3-15)33(31,32)28(13-16-4-11-20(24)21(25)12-16)14-22(29)27-18-7-5-17(6-8-18)23(26)30/h2-12H,13-14H2,1H3,(H2,26,30)(H,27,29)
InChIKeyVYKYBZZXYPDRDS-UHFFFAOYSA-N
MW506.41 g/mol
LogP4.23
Rot. Bonds8

About 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide

4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide (PubChem CID 126012394) has the molecular formula C23H21Cl2N3O4S and a molecular weight of 506.41 g/mol. Its IUPAC name is 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
PubChem CID126012394
Molecular FormulaC23H21Cl2N3O4S
Molecular Weight506.41 g/mol
Exact Mass505.06
IUPAC Name4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H21Cl2N3O4S/c1-15-2-9-19(10-3-15)33(31,32)28(13-16-4-11-20(24)21(25)12-16)14-22(29)27-18-7-5-17(6-8-18)23(26)30/h2-12H,13-14H2,1H3,(H2,26,30)(H,27,29)
InChIKeyVYKYBZZXYPDRDS-UHFFFAOYSA-N
XLogP4.23
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide with MolForge

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
4-[[2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126069872
ethyl 2-[4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100791878
4-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126072579
ethyl 4-[[2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 126201587
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 126010026
ethyl 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetyl]amino]phenyl]acetate
CID 100794615
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
CID 126063097
ethyl 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 1333816
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797562

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide (CID 126012394) is 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide?
The InChIKey is VYKYBZZXYPDRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O4S/c1-15-2-9-19(10-3-15)33(31,32)28(13-16-4-11-20(24)21(25)12-16)14-22(29)27-18-7-5-17(6-8-18)23(26)30/h2-12H,13-14H2,1H3,(H2,26,30)(H,27,29).
What are the key properties of 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide?
4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide has a molecular weight of 506.41 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide is sourced from PubChem (CID 126012394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).