N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide

C14H12BrClFNO2S — CID 3463854

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)16/h2-9,18H,1H3
InChIKeyZFUVOJXTJTVZNP-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 3463854) has the molecular formula C14H12BrClFNO2S and a molecular weight of 392.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
PubChem CID3463854
Molecular FormulaC14H12BrClFNO2S
Molecular Weight392.68 g/mol
Exact Mass390.94
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)16/h2-9,18H,1H3
InChIKeyZFUVOJXTJTVZNP-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

2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide (CID 3463854) is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is ZFUVOJXTJTVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)16/h2-9,18H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide?
N-[1-(4-bromophenyl)ethyl]-2-chloro-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 N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3463854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).