N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

C22H18ClF3N2O4S — CID 5139046

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c1
InChIInChI=1S/C22H18ClF3N2O4S/c1-14-3-2-4-16(11-14)28-33(30,31)18-8-6-17(7-9-18)32-13-21(29)27-20-12-15(22(24,25)26)5-10-19(20)23/h2-12,28H,13H2,1H3,(H,27,29)
InChIKeyQWDOVNFXPDFCOQ-UHFFFAOYSA-N
MW498.91 g/mol
LogP5.49
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 5139046) has the molecular formula C22H18ClF3N2O4S and a molecular weight of 498.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID5139046
Molecular FormulaC22H18ClF3N2O4S
Molecular Weight498.91 g/mol
Exact Mass498.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c1
InChIInChI=1S/C22H18ClF3N2O4S/c1-14-3-2-4-16(11-14)28-33(30,31)18-8-6-17(7-9-18)32-13-21(29)27-20-12-15(22(24,25)26)5-10-19(20)23/h2-12,28H,13H2,1H3,(H,27,29)
InChIKeyQWDOVNFXPDFCOQ-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126397966
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3265403
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873449
N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 5139046) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is QWDOVNFXPDFCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S/c1-14-3-2-4-16(11-14)28-33(30,31)18-8-6-17(7-9-18)32-13-21(29)27-20-12-15(22(24,25)26)5-10-19(20)23/h2-12,28H,13H2,1H3,(H,27,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 498.91 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 5139046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).