3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide

C18H21BrN2O4S — CID 1011816

IUPAC3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-4-21(5-2)26(23,24)15-9-7-14(8-10-15)20-18(22)13-6-11-17(25-3)16(19)12-13/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyUJUBMWSTCAWVSQ-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.74
Rot. Bonds7

About 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide

3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide (PubChem CID 1011816) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
PubChem CID1011816
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-4-21(5-2)26(23,24)15-9-7-14(8-10-15)20-18(22)13-6-11-17(25-3)16(19)12-13/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyUJUBMWSTCAWVSQ-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

N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356384
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342760
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5178536
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide (CID 1011816) is 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide?
The InChIKey is UJUBMWSTCAWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-4-21(5-2)26(23,24)15-9-7-14(8-10-15)20-18(22)13-6-11-17(25-3)16(19)12-13/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide?
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide 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 3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1011816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).