3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide

C17H19BrN2O4S — CID 54783651

IUPAC3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)24-16-8-5-13(9-15(16)18)17(21)20-10-12-3-6-14(7-4-12)25(19,22)23/h3-9,11H,10H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyCAGBINXAINJEJK-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.81
Rot. Bonds6

About 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide

3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 54783651) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID54783651
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)24-16-8-5-13(9-15(16)18)17(21)20-10-12-3-6-14(7-4-12)25(19,22)23/h3-9,11H,10H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyCAGBINXAINJEJK-UHFFFAOYSA-N
XLogP2.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783616
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783682
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
CID 71703823
3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 55381469
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-4-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 4845355

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 54783651) is 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide is CC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is CAGBINXAINJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-11(2)24-16-8-5-13(9-15(16)18)17(21)20-10-12-3-6-14(7-4-12)25(19,22)23/h3-9,11H,10H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 427.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 54783651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).