2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

C18H18BrFN2O3S — CID 24637964

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1F
InChIInChI=1S/C18H18BrFN2O3S/c1-11-2-3-12(8-17(11)20)10-21-18(23)15-9-14(6-7-16(15)19)26(24,25)22-13-4-5-13/h2-3,6-9,13,22H,4-5,10H2,1H3,(H,21,23)
InChIKeyZKXLPBBTUDZVFE-UHFFFAOYSA-N
MW441.32 g/mol
LogP3.27
Rot. Bonds6

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (PubChem CID 24637964) has the molecular formula C18H18BrFN2O3S and a molecular weight of 441.32 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
PubChem CID24637964
Molecular FormulaC18H18BrFN2O3S
Molecular Weight441.32 g/mol
Exact Mass440.02
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1F
InChIInChI=1S/C18H18BrFN2O3S/c1-11-2-3-12(8-17(11)20)10-21-18(23)15-9-14(6-7-16(15)19)26(24,25)22-13-4-5-13/h2-3,6-9,13,22H,4-5,10H2,1H3,(H,21,23)
InChIKeyZKXLPBBTUDZVFE-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
CID 39502349
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (CID 24637964) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1F.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The InChIKey is ZKXLPBBTUDZVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S/c1-11-2-3-12(8-17(11)20)10-21-18(23)15-9-14(6-7-16(15)19)26(24,25)22-13-4-5-13/h2-3,6-9,13,22H,4-5,10H2,1H3,(H,21,23).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide has a molecular weight of 441.32 g/mol, XLogP of 3.27, 6 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-[(3-fluoro-4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 24637964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).