2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide

C14H12BrClFNO2S — CID 61074330

IUPAC2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClFNO2S/c1-9(10-3-2-4-11(16)7-10)18-21(19,20)14-6-5-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyNJIBXOHNHOQXAH-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.28
Rot. Bonds4

About 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide

2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 61074330) has the molecular formula C14H12BrClFNO2S and a molecular weight of 392.68 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID61074330
Molecular FormulaC14H12BrClFNO2S
Molecular Weight392.68 g/mol
Exact Mass390.94
IUPAC Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClFNO2S/c1-9(10-3-2-4-11(16)7-10)18-21(19,20)14-6-5-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyNJIBXOHNHOQXAH-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide (CID 61074330) is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1Br)c1cccc(Cl)c1.
What is the InChIKey of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is NJIBXOHNHOQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO2S/c1-9(10-3-2-4-11(16)7-10)18-21(19,20)14-6-5-12(17)8-13(14)15/h2-9,18H,1H3.
What are the key properties of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 392.68 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61074330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).