5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide

C25H27BrN2O4S — CID 17349929

IUPAC5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C25H27BrN2O4S/c1-3-5-17-32-24-16-11-19(26)18-23(24)25(29)27-20-12-14-22(15-13-20)33(30,31)28(4-2)21-9-7-6-8-10-21/h6-16,18H,3-5,17H2,1-2H3,(H,27,29)
InChIKeyASXFXBUDENWJFV-UHFFFAOYSA-N
MW531.47 g/mol
LogP6.10
Rot. Bonds10

About 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide

5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17349929) has the molecular formula C25H27BrN2O4S and a molecular weight of 531.47 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
PubChem CID17349929
Molecular FormulaC25H27BrN2O4S
Molecular Weight531.47 g/mol
Exact Mass530.09
IUPAC Name5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C25H27BrN2O4S/c1-3-5-17-32-24-16-11-19(26)18-23(24)25(29)27-20-12-14-22(15-13-20)33(30,31)28(4-2)21-9-7-6-8-10-21/h6-16,18H,3-5,17H2,1-2H3,(H,27,29)
InChIKeyASXFXBUDENWJFV-UHFFFAOYSA-N
XLogP6.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.47
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
5-bromo-2-ethoxy-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17353131
5-bromo-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17350954
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
5-bromo-2-hexoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17343328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide (CID 17349929) is 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is ASXFXBUDENWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O4S/c1-3-5-17-32-24-16-11-19(26)18-23(24)25(29)27-20-12-14-22(15-13-20)33(30,31)28(4-2)21-9-7-6-8-10-21/h6-16,18H,3-5,17H2,1-2H3,(H,27,29).
What are the key properties of 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 531.47 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17349929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).