N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide

C17H16ClF3N2O4S — CID 45373722

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC
InChIInChI=1S/C17H16ClF3N2O4S/c1-3-22-28(25,26)15-8-10(4-7-14(15)27-2)16(24)23-13-6-5-11(18)9-12(13)17(19,20)21/h4-9,22H,3H2,1-2H3,(H,23,24)
InChIKeyBXVSLYIQLJCQDJ-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.92
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide (PubChem CID 45373722) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
PubChem CID45373722
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC
InChIInChI=1S/C17H16ClF3N2O4S/c1-3-22-28(25,26)15-8-10(4-7-14(15)27-2)16(24)23-13-6-5-11(18)9-12(13)17(19,20)21/h4-9,22H,3H2,1-2H3,(H,23,24)
InChIKeyBXVSLYIQLJCQDJ-UHFFFAOYSA-N
XLogP3.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
N-(2,6-difluorophenyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027144
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 28557870
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26702654
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide (CID 45373722) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide is CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is BXVSLYIQLJCQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-3-22-28(25,26)15-8-10(4-7-14(15)27-2)16(24)23-13-6-5-11(18)9-12(13)17(19,20)21/h4-9,22H,3H2,1-2H3,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 436.84 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 45373722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).