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

C25H27BrN2O5S — CID 17350003

IUPAC5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H27BrN2O5S/c1-3-5-16-33-24-15-6-18(26)17-23(24)25(29)27-19-9-13-22(14-10-19)34(30,31)28-20-7-11-21(12-8-20)32-4-2/h6-15,17,28H,3-5,16H2,1-2H3,(H,27,29)
InChIKeyULGXOIFTJUUHIW-UHFFFAOYSA-N
MW547.47 g/mol
LogP6.08
Rot. Bonds11

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

5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17350003) has the molecular formula C25H27BrN2O5S and a molecular weight of 547.47 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17350003
Molecular FormulaC25H27BrN2O5S
Molecular Weight547.47 g/mol
Exact Mass546.08
IUPAC Name5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H27BrN2O5S/c1-3-5-16-33-24-15-6-18(26)17-23(24)25(29)27-19-9-13-22(14-10-19)34(30,31)28-20-7-11-21(12-8-20)32-4-2/h6-15,17,28H,3-5,16H2,1-2H3,(H,27,29)
InChIKeyULGXOIFTJUUHIW-UHFFFAOYSA-N
XLogP6.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.47
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919
5-bromo-2-butoxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17350442
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051179
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide (CID 17350003) is 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is ULGXOIFTJUUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O5S/c1-3-5-16-33-24-15-6-18(26)17-23(24)25(29)27-19-9-13-22(14-10-19)34(30,31)28-20-7-11-21(12-8-20)32-4-2/h6-15,17,28H,3-5,16H2,1-2H3,(H,27,29).
What are the key properties of 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 547.47 g/mol, XLogP of 6.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17350003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).