N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

C22H19ClFN3O4S — CID 55980726

IUPACN-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1
InChIInChI=1S/C22H19ClFN3O4S/c1-13-6-8-18(12-20(13)24)32(30,31)27-17-5-3-4-15(10-17)22(29)26-21-11-16(25-14(2)28)7-9-19(21)23/h3-12,27H,1-2H3,(H,25,28)(H,26,29)
InChIKeyLWXZHBBPOZCQFJ-UHFFFAOYSA-N
MW475.93 g/mol
LogP4.80
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55980726) has the molecular formula C22H19ClFN3O4S and a molecular weight of 475.93 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
PubChem CID55980726
Molecular FormulaC22H19ClFN3O4S
Molecular Weight475.93 g/mol
Exact Mass475.08
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1
InChIInChI=1S/C22H19ClFN3O4S/c1-13-6-8-18(12-20(13)24)32(30,31)27-17-5-3-4-15(10-17)22(29)26-21-11-16(25-14(2)28)7-9-19(21)23/h3-12,27H,1-2H3,(H,25,28)(H,26,29)
InChIKeyLWXZHBBPOZCQFJ-UHFFFAOYSA-N
XLogP4.80
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 34752536
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 134050501
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (CID 55980726) is N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LWXZHBBPOZCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O4S/c1-13-6-8-18(12-20(13)24)32(30,31)27-17-5-3-4-15(10-17)22(29)26-21-11-16(25-14(2)28)7-9-19(21)23/h3-12,27H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 475.93 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55980726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).