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

C18H19F3N2O4S — CID 18892400

IUPAC4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC
InChIInChI=1S/C18H19F3N2O4S/c1-3-9-22-28(25,26)16-10-12(7-8-15(16)27-2)17(24)23-14-6-4-5-13(11-14)18(19,20)21/h4-8,10-11,22H,3,9H2,1-2H3,(H,23,24)
InChIKeyJCCKQZMHXRMBGR-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.65
Rot. Bonds7

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

4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 18892400) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID18892400
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC
InChIInChI=1S/C18H19F3N2O4S/c1-3-9-22-28(25,26)16-10-12(7-8-15(16)27-2)17(24)23-14-6-4-5-13(11-14)18(19,20)21/h4-8,10-11,22H,3,9H2,1-2H3,(H,23,24)
InChIKeyJCCKQZMHXRMBGR-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 28557870
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
N-(4-ethoxyphenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892408
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
methyl 5-[[4-methoxy-3-(propylsulfamoyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 28557856

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 18892400) is 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JCCKQZMHXRMBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-3-9-22-28(25,26)16-10-12(7-8-15(16)27-2)17(24)23-14-6-4-5-13(11-14)18(19,20)21/h4-8,10-11,22H,3,9H2,1-2H3,(H,23,24).
What are the key properties of 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 18892400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).