4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide

C15H12ClF3N2O4S — CID 71626628

IUPAC4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)NC(=O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3N2O4S/c1-20-26(23,24)21-14(22)9-2-4-10(5-3-9)25-11-6-7-13(16)12(8-11)15(17,18)19/h2-8,20H,1H3,(H,21,22)
InChIKeySWWZZIGQDDYMOQ-UHFFFAOYSA-N
MW408.79 g/mol
LogP3.35
Rot. Bonds5

About 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide

4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide (PubChem CID 71626628) has the molecular formula C15H12ClF3N2O4S and a molecular weight of 408.79 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
PubChem CID71626628
Molecular FormulaC15H12ClF3N2O4S
Molecular Weight408.79 g/mol
Exact Mass408.02
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)NC(=O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3N2O4S/c1-20-26(23,24)21-14(22)9-2-4-10(5-3-9)25-11-6-7-13(16)12(8-11)15(17,18)19/h2-8,20H,1H3,(H,21,22)
InChIKeySWWZZIGQDDYMOQ-UHFFFAOYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
CID 141370066
N-methylsulfonyl-4-naphthalen-2-yloxybenzamide
CID 66767288
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
1-chloro-4-[4-[(E)-2-nitroethenyl]phenoxy]-2-(trifluoromethyl)benzene
CID 67775160

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide (CID 71626628) is 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide is CNS(=O)(=O)NC(=O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide?
The InChIKey is SWWZZIGQDDYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O4S/c1-20-26(23,24)21-14(22)9-2-4-10(5-3-9)25-11-6-7-13(16)12(8-11)15(17,18)19/h2-8,20H,1H3,(H,21,22).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide?
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide has a molecular weight of 408.79 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide is sourced from PubChem (CID 71626628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).