3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide

C16H18N2O4S — CID 51156149

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-17-16(19)12-5-4-6-15(11-12)23(20,21)18(2)13-7-9-14(22-3)10-8-13/h4-11H,1-3H3,(H,17,19)
InChIKeyWGEFUNBHCUYPKY-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.88
Rot. Bonds5

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide (PubChem CID 51156149) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
PubChem CID51156149
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-17-16(19)12-5-4-6-15(11-12)23(20,21)18(2)13-7-9-14(22-3)10-8-13/h4-11H,1-3H3,(H,17,19)
InChIKeyWGEFUNBHCUYPKY-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide (CID 51156149) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide is CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
The InChIKey is WGEFUNBHCUYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-17-16(19)12-5-4-6-15(11-12)23(20,21)18(2)13-7-9-14(22-3)10-8-13/h4-11H,1-3H3,(H,17,19).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 51156149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).