2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C19H21BrN2O6S — CID 26716297

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc(OC)c1OC
InChIInChI=1S/C19H21BrN2O6S/c1-26-16-8-12(9-17(27-2)18(16)28-3)21-19(23)14-10-13(6-7-15(14)20)29(24,25)22-11-4-5-11/h6-11,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyMIMUBNNGELTOHG-UHFFFAOYSA-N
MW485.36 g/mol
LogP3.17
Rot. Bonds8

About 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 26716297) has the molecular formula C19H21BrN2O6S and a molecular weight of 485.36 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID26716297
Molecular FormulaC19H21BrN2O6S
Molecular Weight485.36 g/mol
Exact Mass484.03
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc(OC)c1OC
InChIInChI=1S/C19H21BrN2O6S/c1-26-16-8-12(9-17(27-2)18(16)28-3)21-19(23)14-10-13(6-7-15(14)20)29(24,25)22-11-4-5-11/h6-11,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyMIMUBNNGELTOHG-UHFFFAOYSA-N
XLogP3.17
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 34274025
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 26716297) is 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc(OC)c1OC.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is MIMUBNNGELTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O6S/c1-26-16-8-12(9-17(27-2)18(16)28-3)21-19(23)14-10-13(6-7-15(14)20)29(24,25)22-11-4-5-11/h6-11,22H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 485.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 26716297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).