3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

C16H18N2O5S — CID 1011870

IUPAC3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O5S/c1-22-13-7-12(8-14(9-13)23-2)16(19)18-10-11-3-5-15(6-4-11)24(17,20)21/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyJFHSQOYKOOTKMW-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.28
Rot. Bonds6

About 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 1011870) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID1011870
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O5S/c1-22-13-7-12(8-14(9-13)23-2)16(19)18-10-11-3-5-15(6-4-11)24(17,20)21/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyJFHSQOYKOOTKMW-UHFFFAOYSA-N
XLogP1.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 1011870) is 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is JFHSQOYKOOTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-13-7-12(8-14(9-13)23-2)16(19)18-10-11-3-5-15(6-4-11)24(17,20)21/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 1011870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).