2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

C17H18BrFN2O3S — CID 26369634

IUPAC2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C17H18BrFN2O3S/c1-11(2)21(3)25(23,24)14-7-5-13(6-8-14)20-17(22)15-10-12(19)4-9-16(15)18/h4-11H,1-3H3,(H,20,22)
InChIKeyCPQGXEMKRYOGFF-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.87
Rot. Bonds5

About 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 26369634) has the molecular formula C17H18BrFN2O3S and a molecular weight of 429.31 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID26369634
Molecular FormulaC17H18BrFN2O3S
Molecular Weight429.31 g/mol
Exact Mass428.02
IUPAC Name2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C17H18BrFN2O3S/c1-11(2)21(3)25(23,24)14-7-5-13(6-8-14)20-17(22)15-10-12(19)4-9-16(15)18/h4-11H,1-3H3,(H,20,22)
InChIKeyCPQGXEMKRYOGFF-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 31120180
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
CID 51127237
2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188165
2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 9219948
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
CID 39094592

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (CID 26369634) is 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is CPQGXEMKRYOGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3S/c1-11(2)21(3)25(23,24)14-7-5-13(6-8-14)20-17(22)15-10-12(19)4-9-16(15)18/h4-11H,1-3H3,(H,20,22).
What are the key properties of 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 429.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26369634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).