2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide

C18H21BrN2O5S — CID 55527805

IUPAC2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C18H21BrN2O5S/c1-26-10-9-21-27(24,25)14-7-8-16(19)15(11-14)18(23)20-12-17(22)13-5-3-2-4-6-13/h2-8,11,17,21-22H,9-10,12H2,1H3,(H,20,23)
InChIKeyRDYIWEWLVLHXSF-UHFFFAOYSA-N
MW457.35 g/mol
LogP1.84
Rot. Bonds9

About 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide

2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55527805) has the molecular formula C18H21BrN2O5S and a molecular weight of 457.35 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55527805
Molecular FormulaC18H21BrN2O5S
Molecular Weight457.35 g/mol
Exact Mass456.04
IUPAC Name2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C18H21BrN2O5S/c1-26-10-9-21-27(24,25)14-7-8-16(19)15(11-14)18(23)20-12-17(22)13-5-3-2-4-6-13/h2-8,11,17,21-22H,9-10,12H2,1H3,(H,20,23)
InChIKeyRDYIWEWLVLHXSF-UHFFFAOYSA-N
XLogP1.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55652582
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 43005612
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 55725310
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35150998
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 43006074
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide (CID 55527805) is 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(O)c2ccccc2)c1.
What is the InChIKey of 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is RDYIWEWLVLHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O5S/c1-26-10-9-21-27(24,25)14-7-8-16(19)15(11-14)18(23)20-12-17(22)13-5-3-2-4-6-13/h2-8,11,17,21-22H,9-10,12H2,1H3,(H,20,23).
What are the key properties of 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide?
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 457.35 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55527805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).