N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide

C12H7BrClF2NO2S — CID 115649180

IUPACN-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H7BrClF2NO2S/c13-9-3-2-8(6-11(9)16)17-20(18,19)12-5-7(15)1-4-10(12)14/h1-6,17H
InChIKeyPLUNJHYIMKBKME-UHFFFAOYSA-N
MW382.61 g/mol
LogP4.18
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 115649180) has the molecular formula C12H7BrClF2NO2S and a molecular weight of 382.61 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID115649180
Molecular FormulaC12H7BrClF2NO2S
Molecular Weight382.61 g/mol
Exact Mass380.90
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H7BrClF2NO2S/c13-9-3-2-8(6-11(9)16)17-20(18,19)12-5-7(15)1-4-10(12)14/h1-6,17H
InChIKeyPLUNJHYIMKBKME-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
CID 106912977
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 115649180) is N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(F)c1)c1cc(F)ccc1Cl.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is PLUNJHYIMKBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO2S/c13-9-3-2-8(6-11(9)16)17-20(18,19)12-5-7(15)1-4-10(12)14/h1-6,17H.
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 382.61 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115649180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).