N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide

C17H18BrFN2O3S — CID 35569747

IUPACN-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFN2O3S/c1-17(2,3)16(22)20-14-9-6-12(19)10-15(14)25(23,24)21-13-7-4-11(18)5-8-13/h4-10,21H,1-3H3,(H,20,22)
InChIKeyUNDFFTYWLVWZPQ-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.37
Rot. Bonds4

About N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide

N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 35569747) has the molecular formula C17H18BrFN2O3S and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID35569747
Molecular FormulaC17H18BrFN2O3S
Molecular Weight429.31 g/mol
Exact Mass428.02
IUPAC NameN-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFN2O3S/c1-17(2,3)16(22)20-14-9-6-12(19)10-15(14)25(23,24)21-13-7-4-11(18)5-8-13/h4-10,21H,1-3H3,(H,20,22)
InChIKeyUNDFFTYWLVWZPQ-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 35177209
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
CID 134878844
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
CID 11289508
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide (CID 35569747) is N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is UNDFFTYWLVWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3S/c1-17(2,3)16(22)20-14-9-6-12(19)10-15(14)25(23,24)21-13-7-4-11(18)5-8-13/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide?
N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 429.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 35569747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).