5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide

C17H19BrN2O4S — CID 17094279

IUPAC5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-10-19-25(22,23)14-7-5-13(6-8-14)20-17(21)15-11-12(18)4-9-16(15)24-2/h4-9,11,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyYRPYIOFDZRQSQD-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.40
Rot. Bonds7

About 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide

5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide (PubChem CID 17094279) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
PubChem CID17094279
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C17H19BrN2O4S/c1-3-10-19-25(22,23)14-7-5-13(6-8-14)20-17(21)15-11-12(18)4-9-16(15)24-2/h4-9,11,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyYRPYIOFDZRQSQD-UHFFFAOYSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
5-bromo-2-hexoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17343328
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
5-bromo-2-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17094246
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352261
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide (CID 17094279) is 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The InChIKey is YRPYIOFDZRQSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-10-19-25(22,23)14-7-5-13(6-8-14)20-17(21)15-11-12(18)4-9-16(15)24-2/h4-9,11,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide has a molecular weight of 427.32 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17094279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).