3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide

C16H17FN2O4S — CID 37007579

IUPAC3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-11-4-5-12(10-15(11)17)16(20)18-13-6-8-14(9-7-13)24(21,22)19(2)23-3/h4-10H,1-3H3,(H,18,20)
InChIKeyRZZHJDVDJTVFFN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.57
Rot. Bonds5

About 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide

3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide (PubChem CID 37007579) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide
PubChem CID37007579
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-11-4-5-12(10-15(11)17)16(20)18-13-6-8-14(9-7-13)24(21,22)19(2)23-3/h4-10H,1-3H3,(H,18,20)
InChIKeyRZZHJDVDJTVFFN-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-[4-[methoxy(methyl)sulfamoyl]phenyl]-2,4-dimethylbenzamide
CID 60601161
4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46467596
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 37007638
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide (CID 37007579) is 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide is CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide?
The InChIKey is RZZHJDVDJTVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-4-5-12(10-15(11)17)16(20)18-13-6-8-14(9-7-13)24(21,22)19(2)23-3/h4-10H,1-3H3,(H,18,20).
What are the key properties of 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide?
3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide 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 3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 37007579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).