N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide

C16H17FN2O4S — CID 26702654

IUPACN-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2F)ccc1OC
InChIInChI=1S/C16H17FN2O4S/c1-10-4-6-13(12(17)8-10)19-16(20)11-5-7-14(23-3)15(9-11)24(21,22)18-2/h4-9,18H,1-3H3,(H,19,20)
InChIKeyNONZQKPPYYMPJF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.30
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide

N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 26702654) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID26702654
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2F)ccc1OC
InChIInChI=1S/C16H17FN2O4S/c1-10-4-6-13(12(17)8-10)19-16(20)11-5-7-14(23-3)15(9-11)24(21,22)18-2/h4-9,18H,1-3H3,(H,19,20)
InChIKeyNONZQKPPYYMPJF-UHFFFAOYSA-N
XLogP2.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 26522911
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26773919
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide (CID 26702654) is N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2F)ccc1OC.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is NONZQKPPYYMPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-10-4-6-13(12(17)8-10)19-16(20)11-5-7-14(23-3)15(9-11)24(21,22)18-2/h4-9,18H,1-3H3,(H,19,20).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 26702654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).