2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide

C18H20BrClN2O4S — CID 43005612

IUPAC2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20BrClN2O4S/c1-12(13-4-3-5-14(20)10-13)22-18(23)16-11-15(6-7-17(16)19)27(24,25)21-8-9-26-2/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,23)
InChIKeyAEBKDEWACYQKIQ-UHFFFAOYSA-N
MW475.79 g/mol
LogP3.52
Rot. Bonds8

About 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide

2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 43005612) has the molecular formula C18H20BrClN2O4S and a molecular weight of 475.79 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
PubChem CID43005612
Molecular FormulaC18H20BrClN2O4S
Molecular Weight475.79 g/mol
Exact Mass474.00
IUPAC Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20BrClN2O4S/c1-12(13-4-3-5-14(20)10-13)22-18(23)16-11-15(6-7-17(16)19)27(24,25)21-8-9-26-2/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,23)
InChIKeyAEBKDEWACYQKIQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 51164465
N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55968741
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 43006074
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide (CID 43005612) is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is AEBKDEWACYQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O4S/c1-12(13-4-3-5-14(20)10-13)22-18(23)16-11-15(6-7-17(16)19)27(24,25)21-8-9-26-2/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 475.79 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 43005612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).