N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide

C22H20ClN3O4S — CID 55868550

IUPACN-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H20ClN3O4S/c23-19-11-4-5-12-20(19)31(29,30)24-14-13-21(27)25-17-9-6-10-18(15-17)26-22(28)16-7-2-1-3-8-16/h1-12,15,24H,13-14H2,(H,25,27)(H,26,28)
InChIKeyZYGPJOFFDCDQFW-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.90
Rot. Bonds8

About N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide

N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide (PubChem CID 55868550) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
PubChem CID55868550
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H20ClN3O4S/c23-19-11-4-5-12-20(19)31(29,30)24-14-13-21(27)25-17-9-6-10-18(15-17)26-22(28)16-7-2-1-3-8-16/h1-12,15,24H,13-14H2,(H,25,27)(H,26,28)
InChIKeyZYGPJOFFDCDQFW-UHFFFAOYSA-N
XLogP3.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
3-[(2-chlorophenyl)sulfonylamino]-N-(3-cyclopentylsulfonylphenyl)propanamide
CID 55636261
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 55653308
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 55682810
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide?
The IUPAC name of N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide (CID 55868550) is N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide?
The InChIKey is ZYGPJOFFDCDQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-19-11-4-5-12-20(19)31(29,30)24-14-13-21(27)25-17-9-6-10-18(15-17)26-22(28)16-7-2-1-3-8-16/h1-12,15,24H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide?
N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide has a molecular weight of 457.94 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide is sourced from PubChem (CID 55868550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).