4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide

C16H16BrClN2O4S — CID 26094922

IUPAC4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H16BrClN2O4S/c1-20(2)25(22,23)15-8-10(4-6-12(15)17)16(21)19-13-9-11(18)5-7-14(13)24-3/h4-9H,1-3H3,(H,19,21)
InChIKeySUSWRRANQJRLAV-UHFFFAOYSA-N
MW447.74 g/mol
LogP3.61
Rot. Bonds5

About 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide

4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 26094922) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID26094922
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC Name4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H16BrClN2O4S/c1-20(2)25(22,23)15-8-10(4-6-12(15)17)16(21)19-13-9-11(18)5-7-14(13)24-3/h4-9H,1-3H3,(H,19,21)
InChIKeySUSWRRANQJRLAV-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415005
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide (CID 26094922) is 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is SUSWRRANQJRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c1-20(2)25(22,23)15-8-10(4-6-12(15)17)16(21)19-13-9-11(18)5-7-14(13)24-3/h4-9H,1-3H3,(H,19,21).
What are the key properties of 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 447.74 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26094922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).