N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C22H16ClF3N2O4S — CID 30880179

IUPACN-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1
InChIInChI=1S/C22H16ClF3N2O4S/c1-13(29)14-4-2-6-16(10-14)27-21(30)19-12-18(8-9-20(19)23)33(31,32)28-17-7-3-5-15(11-17)22(24,25)26/h2-12,28H,1H3,(H,27,30)
InChIKeyZXGGROLJVMCIHN-UHFFFAOYSA-N
MW496.89 g/mol
LogP5.61
Rot. Bonds6

About N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 30880179) has the molecular formula C22H16ClF3N2O4S and a molecular weight of 496.89 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID30880179
Molecular FormulaC22H16ClF3N2O4S
Molecular Weight496.89 g/mol
Exact Mass496.05
IUPAC NameN-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1
InChIInChI=1S/C22H16ClF3N2O4S/c1-13(29)14-4-2-6-16(10-14)27-21(30)19-12-18(8-9-20(19)23)33(31,32)28-17-7-3-5-15(11-17)22(24,25)26/h2-12,28H,1H3,(H,27,30)
InChIKeyZXGGROLJVMCIHN-UHFFFAOYSA-N
XLogP5.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.89
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 46536488
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
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CID 1069109
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 30880179) is N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is ZXGGROLJVMCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O4S/c1-13(29)14-4-2-6-16(10-14)27-21(30)19-12-18(8-9-20(19)23)33(31,32)28-17-7-3-5-15(11-17)22(24,25)26/h2-12,28H,1H3,(H,27,30).
What are the key properties of N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 496.89 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 30880179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).