N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide

C15H14BrFN2O3S — CID 55792846

IUPACN-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H14BrFN2O3S/c1-19(2)23(21,22)14-9-10(3-8-13(14)17)15(20)18-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,18,20)
InChIKeyZGDWBNLRIYJLQR-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.09
Rot. Bonds4

About N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide

N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide (PubChem CID 55792846) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
PubChem CID55792846
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC NameN-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H14BrFN2O3S/c1-19(2)23(21,22)14-9-10(3-8-13(14)17)15(20)18-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,18,20)
InChIKeyZGDWBNLRIYJLQR-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792690
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 55792456
3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881988
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide
CID 55706130
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide (CID 55792846) is N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F.
What is the InChIKey of N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is ZGDWBNLRIYJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c1-19(2)23(21,22)14-9-10(3-8-13(14)17)15(20)18-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide?
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 401.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 55792846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).