N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide

C18H18F4N2O4S — CID 28557870

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OC
InChIInChI=1S/C18H18F4N2O4S/c1-3-8-23-29(26,27)16-9-11(4-7-15(16)28-2)17(25)24-12-5-6-14(19)13(10-12)18(20,21)22/h4-7,9-10,23H,3,8H2,1-2H3,(H,24,25)
InChIKeyKEKOPTNHZRVTAB-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.79
Rot. Bonds7

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide (PubChem CID 28557870) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
PubChem CID28557870
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OC
InChIInChI=1S/C18H18F4N2O4S/c1-3-8-23-29(26,27)16-9-11(4-7-15(16)28-2)17(25)24-12-5-6-14(19)13(10-12)18(20,21)22/h4-7,9-10,23H,3,8H2,1-2H3,(H,24,25)
InChIKeyKEKOPTNHZRVTAB-UHFFFAOYSA-N
XLogP3.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
2-[[5-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]sulfonylamino]ethyl-dimethylazanium
CID 2413479
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
N-(4-ethoxyphenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892408
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
methyl 5-[[4-methoxy-3-(propylsulfamoyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 28557856
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373722
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide (CID 28557870) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OC.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The InChIKey is KEKOPTNHZRVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-3-8-23-29(26,27)16-9-11(4-7-15(16)28-2)17(25)24-12-5-6-14(19)13(10-12)18(20,21)22/h4-7,9-10,23H,3,8H2,1-2H3,(H,24,25).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide has a molecular weight of 434.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 28557870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).