1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide

C8H6BrCl2F2NO3S — CID 83086658

IUPAC1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(CBr)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H6BrCl2F2NO3S/c9-3-18(15,16)14-4-1-5(10)7(6(11)2-4)17-8(12)13/h1-2,8,14H,3H2
InChIKeyYYSFMFTYAXFCTH-UHFFFAOYSA-N
MW385.01 g/mol
LogP3.69
Rot. Bonds5

About 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide

1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide (PubChem CID 83086658) has the molecular formula C8H6BrCl2F2NO3S and a molecular weight of 385.01 g/mol. Its IUPAC name is 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
PubChem CID83086658
Molecular FormulaC8H6BrCl2F2NO3S
Molecular Weight385.01 g/mol
Exact Mass382.86
IUPAC Name1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(CBr)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H6BrCl2F2NO3S/c9-3-18(15,16)14-4-1-5(10)7(6(11)2-4)17-8(12)13/h1-2,8,14H,3H2
InChIKeyYYSFMFTYAXFCTH-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.01
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide (CID 83086658) is 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide is O=S(=O)(CBr)Nc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is YYSFMFTYAXFCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2F2NO3S/c9-3-18(15,16)14-4-1-5(10)7(6(11)2-4)17-8(12)13/h1-2,8,14H,3H2.
What are the key properties of 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide?
1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 385.01 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 83086658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).