N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide

C8H8BrClFNO2S — CID 107650897

IUPACN-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1cc(Br)ccc1F
InChIInChI=1S/C8H8BrClFNO2S/c9-6-1-2-7(11)8(5-6)12-15(13,14)4-3-10/h1-2,5,12H,3-4H2
InChIKeyXKIDXSKAJKMKQM-UHFFFAOYSA-N
MW316.58 g/mol
LogP2.57
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide

N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide (PubChem CID 107650897) has the molecular formula C8H8BrClFNO2S and a molecular weight of 316.58 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
PubChem CID107650897
Molecular FormulaC8H8BrClFNO2S
Molecular Weight316.58 g/mol
Exact Mass314.91
IUPAC NameN-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1cc(Br)ccc1F
InChIInChI=1S/C8H8BrClFNO2S/c9-6-1-2-7(11)8(5-6)12-15(13,14)4-3-10/h1-2,5,12H,3-4H2
InChIKeyXKIDXSKAJKMKQM-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061
N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972028
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
5-(2-chloroethylsulfonylamino)-2,4-difluorobenzoic acid
CID 107651242
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide
CID 114043489
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide (CID 107650897) is N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide is O=S(=O)(CCCl)Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide?
The InChIKey is XKIDXSKAJKMKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO2S/c9-6-1-2-7(11)8(5-6)12-15(13,14)4-3-10/h1-2,5,12H,3-4H2.
What are the key properties of N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide?
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide has a molecular weight of 316.58 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide is sourced from PubChem (CID 107650897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).