3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

C16H17BrN2O4S — CID 7750690

IUPAC3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)13-7-8-15(23-3)14(10-13)18-16(20)11-5-4-6-12(17)9-11/h4-10H,1-3H3,(H,18,20)
InChIKeyGESBVAYXIBXCMD-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.96
Rot. Bonds5

About 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (PubChem CID 7750690) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
PubChem CID7750690
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)13-7-8-15(23-3)14(10-13)18-16(20)11-5-4-6-12(17)9-11/h4-10H,1-3H3,(H,18,20)
InChIKeyGESBVAYXIBXCMD-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The IUPAC name of 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (CID 7750690) is 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The InChIKey is GESBVAYXIBXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)13-7-8-15(23-3)14(10-13)18-16(20)11-5-4-6-12(17)9-11/h4-10H,1-3H3,(H,18,20).
What are the key properties of 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide has a molecular weight of 413.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 7750690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).