4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide

C14H9BrCl3F2NO2S — CID 146256296

IUPAC4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)c1ccccc1Cl)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H9BrCl3F2NO2S/c15-8-5-11(17)13(12(18)6-8)24(22,23)21-7-14(19,20)9-3-1-2-4-10(9)16/h1-6,21H,7H2
InChIKeyLNRPBYHWPCNBLF-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.48
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide (PubChem CID 146256296) has the molecular formula C14H9BrCl3F2NO2S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide
PubChem CID146256296
Molecular FormulaC14H9BrCl3F2NO2S
Molecular Weight479.56 g/mol
Exact Mass476.86
IUPAC Name4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)c1ccccc1Cl)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H9BrCl3F2NO2S/c15-8-5-11(17)13(12(18)6-8)24(22,23)21-7-14(19,20)9-3-1-2-4-10(9)16/h1-6,21H,7H2
InChIKeyLNRPBYHWPCNBLF-UHFFFAOYSA-N
XLogP5.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide (CID 146256296) is 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide is O=S(=O)(NCC(F)(F)c1ccccc1Cl)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide?
The InChIKey is LNRPBYHWPCNBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl3F2NO2S/c15-8-5-11(17)13(12(18)6-8)24(22,23)21-7-14(19,20)9-3-1-2-4-10(9)16/h1-6,21H,7H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 5.48, 5 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-(2-chlorophenyl)-2,2-difluoroethyl]benzenesulfonamide is sourced from PubChem (CID 146256296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).