4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide

C22H20ClN3O4S — CID 1020207

IUPAC4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20ClN3O4S/c23-18-10-6-16(7-11-18)14-26(31(29,30)20-4-2-1-3-5-20)15-21(27)25-19-12-8-17(9-13-19)22(24)28/h1-13H,14-15H2,(H2,24,28)(H,25,27)
InChIKeyMKMUVPXHUXZIMZ-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.27
Rot. Bonds8

About 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide

4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide (PubChem CID 1020207) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide
PubChem CID1020207
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20ClN3O4S/c23-18-10-6-16(7-11-18)14-26(31(29,30)20-4-2-1-3-5-20)15-21(27)25-19-12-8-17(9-13-19)22(24)28/h1-13H,14-15H2,(H2,24,28)(H,25,27)
InChIKeyMKMUVPXHUXZIMZ-UHFFFAOYSA-N
XLogP3.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide (CID 1020207) is 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide?
The InChIKey is MKMUVPXHUXZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-18-10-6-16(7-11-18)14-26(31(29,30)20-4-2-1-3-5-20)15-21(27)25-19-12-8-17(9-13-19)22(24)28/h1-13H,14-15H2,(H2,24,28)(H,25,27).
What are the key properties of 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide?
4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide has a molecular weight of 457.94 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 1020207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).