4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide

C12H6BrCl2F2NO2S — CID 60640782

IUPAC4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2F2NO2S/c13-6-4-7(14)12(8(15)5-6)21(19,20)18-11-9(16)2-1-3-10(11)17/h1-5,18H
InChIKeyBACVRQNWOUBIOH-UHFFFAOYSA-N
MW417.06 g/mol
LogP4.83
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 60640782) has the molecular formula C12H6BrCl2F2NO2S and a molecular weight of 417.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID60640782
Molecular FormulaC12H6BrCl2F2NO2S
Molecular Weight417.06 g/mol
Exact Mass414.86
IUPAC Name4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2F2NO2S/c13-6-4-7(14)12(8(15)5-6)21(19,20)18-11-9(16)2-1-3-10(11)17/h1-5,18H
InChIKeyBACVRQNWOUBIOH-UHFFFAOYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide (CID 60640782) is 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1c(F)cccc1F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is BACVRQNWOUBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F2NO2S/c13-6-4-7(14)12(8(15)5-6)21(19,20)18-11-9(16)2-1-3-10(11)17/h1-5,18H.
What are the key properties of 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide has a molecular weight of 417.06 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 60640782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).