N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

C18H20BrClN2O4S — CID 60549183

IUPACN-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrClN2O4S/c1-12(2)22-27(24,25)15-6-7-17(20)16(11-15)18(23)21-8-9-26-14-5-3-4-13(19)10-14/h3-7,10-12,22H,8-9H2,1-2H3,(H,21,23)
InChIKeyGBYYDVBHJILLRV-UHFFFAOYSA-N
MW475.79 g/mol
LogP3.60
Rot. Bonds8

About N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 60549183) has the molecular formula C18H20BrClN2O4S and a molecular weight of 475.79 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID60549183
Molecular FormulaC18H20BrClN2O4S
Molecular Weight475.79 g/mol
Exact Mass474.00
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrClN2O4S/c1-12(2)22-27(24,25)15-6-7-17(20)16(11-15)18(23)21-8-9-26-14-5-3-4-13(19)10-14/h3-7,10-12,22H,8-9H2,1-2H3,(H,21,23)
InChIKeyGBYYDVBHJILLRV-UHFFFAOYSA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 55921133
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-chloro-N-[2-(3-fluorophenoxy)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55657410
N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 39466987
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (CID 60549183) is N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2cccc(Br)c2)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GBYYDVBHJILLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O4S/c1-12(2)22-27(24,25)15-6-7-17(20)16(11-15)18(23)21-8-9-26-14-5-3-4-13(19)10-14/h3-7,10-12,22H,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 475.79 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 60549183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).