N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide

C14H11Br2F2NO3S — CID 169371215

IUPACN-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Br)cc(Br)cc2OC(F)F)cc1
InChIInChI=1S/C14H11Br2F2NO3S/c1-8-2-4-10(5-3-8)23(20,21)19-13-11(16)6-9(15)7-12(13)22-14(17)18/h2-7,14,19H,1H3
InChIKeyQYJFGUXWHILPSU-UHFFFAOYSA-N
MW471.12 g/mol
LogP4.92
Rot. Bonds5

About N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide

N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371215) has the molecular formula C14H11Br2F2NO3S and a molecular weight of 471.12 g/mol. Its IUPAC name is N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371215
Molecular FormulaC14H11Br2F2NO3S
Molecular Weight471.12 g/mol
Exact Mass468.88
IUPAC NameN-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Br)cc(Br)cc2OC(F)F)cc1
InChIInChI=1S/C14H11Br2F2NO3S/c1-8-2-4-10(5-3-8)23(20,21)19-13-11(16)6-9(15)7-12(13)22-14(17)18/h2-7,14,19H,1H3
InChIKeyQYJFGUXWHILPSU-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.12
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
N-(2,4-dibromo-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370091
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
N-(4-amino-2-bromo-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828238
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 65481192
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
5-bromo-2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373142

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide (CID 169371215) is N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Br)cc(Br)cc2OC(F)F)cc1.
What is the InChIKey of N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is QYJFGUXWHILPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO3S/c1-8-2-4-10(5-3-8)23(20,21)19-13-11(16)6-9(15)7-12(13)22-14(17)18/h2-7,14,19H,1H3.
What are the key properties of N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 471.12 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).