N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

C16H17FN2O4S — CID 9208555

IUPACN-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-7-8-13(17)10-15(11)18-16(20)12-5-4-6-14(9-12)24(21,22)19(2)23-3/h4-10H,1-3H3,(H,18,20)
InChIKeyVPPBHAGESVUTIR-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.57
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 9208555) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID9208555
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-7-8-13(17)10-15(11)18-16(20)12-5-4-6-14(9-12)24(21,22)19(2)23-3/h4-10H,1-3H3,(H,18,20)
InChIKeyVPPBHAGESVUTIR-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 17459398
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 18076307
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 9208555) is N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2C)c1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is VPPBHAGESVUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-7-8-13(17)10-15(11)18-16(20)12-5-4-6-14(9-12)24(21,22)19(2)23-3/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 9208555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).