5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide

C16H17FN2O4S — CID 46763335

IUPAC5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C16H17FN2O4S/c1-18-16(20)14-9-13(7-8-15(14)23-2)24(21,22)19-10-11-3-5-12(17)6-4-11/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyMZUWLZRMDYXMTA-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.67
Rot. Bonds6

About 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide

5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide (PubChem CID 46763335) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
PubChem CID46763335
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C16H17FN2O4S/c1-18-16(20)14-9-13(7-8-15(14)23-2)24(21,22)19-10-11-3-5-12(17)6-4-11/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyMZUWLZRMDYXMTA-UHFFFAOYSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
5-[(4-cyanophenyl)methylsulfamoyl]-2-methoxybenzoic acid
CID 139733693
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide (CID 46763335) is 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1OC.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
The InChIKey is MZUWLZRMDYXMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-18-16(20)14-9-13(7-8-15(14)23-2)24(21,22)19-10-11-3-5-12(17)6-4-11/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 46763335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).