N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C22H18ClF3N2O4S — CID 4848572

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O4S/c1-32-19-10-9-18(13-20(19)33(30,31)28-17-7-5-16(23)6-8-17)27-21(29)12-14-3-2-4-15(11-14)22(24,25)26/h2-11,13,28H,12H2,1H3,(H,27,29)
InChIKeyRUXFDOTZWXTQPS-UHFFFAOYSA-N
MW498.91 g/mol
LogP5.35
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4848572) has the molecular formula C22H18ClF3N2O4S and a molecular weight of 498.91 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4848572
Molecular FormulaC22H18ClF3N2O4S
Molecular Weight498.91 g/mol
Exact Mass498.06
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O4S/c1-32-19-10-9-18(13-20(19)33(30,31)28-17-7-5-16(23)6-8-17)27-21(29)12-14-3-2-4-15(11-14)22(24,25)26/h2-11,13,28H,12H2,1H3,(H,27,29)
InChIKeyRUXFDOTZWXTQPS-UHFFFAOYSA-N
XLogP5.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.91
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 35742588
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9322651

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 4848572) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RUXFDOTZWXTQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S/c1-32-19-10-9-18(13-20(19)33(30,31)28-17-7-5-16(23)6-8-17)27-21(29)12-14-3-2-4-15(11-14)22(24,25)26/h2-11,13,28H,12H2,1H3,(H,27,29).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.91 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4848572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).