3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide

C15H13F3N2O4S — CID 18197948

IUPAC3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H13F3N2O4S/c1-20(24-2)25(22,23)10-5-3-4-9(8-10)15(21)19-12-7-6-11(16)13(17)14(12)18/h3-8H,1-2H3,(H,19,21)
InChIKeyMGYQGABQYMHQOC-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.54
Rot. Bonds5

About 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide

3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 18197948) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID18197948
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H13F3N2O4S/c1-20(24-2)25(22,23)10-5-3-4-9(8-10)15(21)19-12-7-6-11(16)13(17)14(12)18/h3-8H,1-2H3,(H,19,21)
InChIKeyMGYQGABQYMHQOC-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
tert-butyl N-[2-fluoro-5-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]phenyl]carbamate
CID 55969313
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 34276394
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide (CID 18197948) is 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is MGYQGABQYMHQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-20(24-2)25(22,23)10-5-3-4-9(8-10)15(21)19-12-7-6-11(16)13(17)14(12)18/h3-8H,1-2H3,(H,19,21).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 18197948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).