2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide

C17H17BrN2O3S — CID 30684295

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-11-2-4-12(5-3-11)19-17(21)15-10-14(8-9-16(15)18)24(22,23)20-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21)
InChIKeyBUWRWLQESPXGOP-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.45
Rot. Bonds5

About 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide (PubChem CID 30684295) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
PubChem CID30684295
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-11-2-4-12(5-3-11)19-17(21)15-10-14(8-9-16(15)18)24(22,23)20-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21)
InChIKeyBUWRWLQESPXGOP-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 34274025
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide (CID 30684295) is 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide?
The InChIKey is BUWRWLQESPXGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-11-2-4-12(5-3-11)19-17(21)15-10-14(8-9-16(15)18)24(22,23)20-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide has a molecular weight of 409.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 30684295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).