N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide

C18H21BrN2O4S — CID 52707757

IUPACN-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Br)ccc2OC)c1
InChIInChI=1S/C18H21BrN2O4S/c1-4-21(5-2)26(23,24)15-8-6-7-13(11-15)18(22)20-16-12-14(19)9-10-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyOOKKMDQHUZHYDO-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.74
Rot. Bonds7

About N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide

N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide (PubChem CID 52707757) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
PubChem CID52707757
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Br)ccc2OC)c1
InChIInChI=1S/C18H21BrN2O4S/c1-4-21(5-2)26(23,24)15-8-6-7-13(11-15)18(22)20-16-12-14(19)9-10-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyOOKKMDQHUZHYDO-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 17226790
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6900515
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide (CID 52707757) is N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Br)ccc2OC)c1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide?
The InChIKey is OOKKMDQHUZHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-4-21(5-2)26(23,24)15-8-6-7-13(11-15)18(22)20-16-12-14(19)9-10-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide?
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide has a molecular weight of 441.35 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 52707757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).