4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide

C15H13F3N2O4S — CID 28557684

IUPAC4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC
InChIInChI=1S/C15H13F3N2O4S/c1-19-25(22,23)12-7-8(3-6-11(12)24-2)15(21)20-10-5-4-9(16)13(17)14(10)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyMWKXDXJXGWUTED-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.27
Rot. Bonds5

About 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide

4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 28557684) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID28557684
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC
InChIInChI=1S/C15H13F3N2O4S/c1-19-25(22,23)12-7-8(3-6-11(12)24-2)15(21)20-10-5-4-9(16)13(17)14(10)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyMWKXDXJXGWUTED-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26702654
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373722
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55312769
(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475074
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119440173
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26773919
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 28557684) is 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is MWKXDXJXGWUTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-19-25(22,23)12-7-8(3-6-11(12)24-2)15(21)20-10-5-4-9(16)13(17)14(10)18/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide?
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 28557684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).