3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

C17H17F3N2O4S — CID 45373661

IUPAC3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC
InChIInChI=1S/C17H17F3N2O4S/c1-3-21-27(24,25)15-10-11(8-9-14(15)26-2)16(23)22-13-7-5-4-6-12(13)17(18,19)20/h4-10,21H,3H2,1-2H3,(H,22,23)
InChIKeyRSVMCMPFQHZPHV-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.26
Rot. Bonds6

About 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 45373661) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID45373661
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC
InChIInChI=1S/C17H17F3N2O4S/c1-3-21-27(24,25)15-10-11(8-9-14(15)26-2)16(23)22-13-7-5-4-6-12(13)17(18,19)20/h4-10,21H,3H2,1-2H3,(H,22,23)
InChIKeyRSVMCMPFQHZPHV-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373722
N-(2,6-difluorophenyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027144
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119440173
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 28557870
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55343291
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide (CID 45373661) is 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide is CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC.
What is the InChIKey of 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RSVMCMPFQHZPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-3-21-27(24,25)15-10-11(8-9-14(15)26-2)16(23)22-13-7-5-4-6-12(13)17(18,19)20/h4-10,21H,3H2,1-2H3,(H,22,23).
What are the key properties of 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 402.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45373661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).