5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide

C22H27BrN2O5S — CID 17357163

IUPAC5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H27BrN2O5S/c1-29-13-14-30-21-12-7-16(23)15-20(21)22(26)24-17-8-10-19(11-9-17)31(27,28)25-18-5-3-2-4-6-18/h7-12,15,18,25H,2-6,13-14H2,1H3,(H,24,26)
InChIKeyJZUZDVFWQLPUOM-UHFFFAOYSA-N
MW511.44 g/mol
LogP4.34
Rot. Bonds9

About 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide

5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 17357163) has the molecular formula C22H27BrN2O5S and a molecular weight of 511.44 g/mol. Its IUPAC name is 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
PubChem CID17357163
Molecular FormulaC22H27BrN2O5S
Molecular Weight511.44 g/mol
Exact Mass510.08
IUPAC Name5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H27BrN2O5S/c1-29-13-14-30-21-12-7-16(23)15-20(21)22(26)24-17-8-10-19(11-9-17)31(27,28)25-18-5-3-2-4-6-18/h7-12,15,18,25H,2-6,13-14H2,1H3,(H,24,26)
InChIKeyJZUZDVFWQLPUOM-UHFFFAOYSA-N
XLogP4.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.44
LogP ≤ 54.34
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-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357269
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357251
5-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17051892
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357546
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17357443
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide (CID 17357163) is 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is JZUZDVFWQLPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O5S/c1-29-13-14-30-21-12-7-16(23)15-20(21)22(26)24-17-8-10-19(11-9-17)31(27,28)25-18-5-3-2-4-6-18/h7-12,15,18,25H,2-6,13-14H2,1H3,(H,24,26).
What are the key properties of 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 511.44 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).