4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide

C14H12BrClFNO2S — CID 107650102

IUPAC4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrClFNO2S/c15-13-5-4-12(9-14(13)17)21(19,20)18-7-6-10-2-1-3-11(16)8-10/h1-5,8-9,18H,6-7H2
InChIKeyKHULJGQWMOLSED-UHFFFAOYSA-N
MW392.68 g/mol
LogP3.76
Rot. Bonds5

About 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide

4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 107650102) has the molecular formula C14H12BrClFNO2S and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID107650102
Molecular FormulaC14H12BrClFNO2S
Molecular Weight392.68 g/mol
Exact Mass390.94
IUPAC Name4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrClFNO2S/c15-13-5-4-12(9-14(13)17)21(19,20)18-7-6-10-2-1-3-11(16)8-10/h1-5,8-9,18H,6-7H2
InChIKeyKHULJGQWMOLSED-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide (CID 107650102) is 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCCc1cccc(Cl)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is KHULJGQWMOLSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO2S/c15-13-5-4-12(9-14(13)17)21(19,20)18-7-6-10-2-1-3-11(16)8-10/h1-5,8-9,18H,6-7H2.
What are the key properties of 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide?
4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 392.68 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107650102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).