N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide

C15H15F2NO3S — CID 19684072

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H15F2NO3S/c1-11-7-8-14(21-15(16)17)13(9-11)18-22(19,20)10-12-5-3-2-4-6-12/h2-9,15,18H,10H2,1H3
InChIKeyCQMYPPPGDKAZGB-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide

N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide (PubChem CID 19684072) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
PubChem CID19684072
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H15F2NO3S/c1-11-7-8-14(21-15(16)17)13(9-11)18-22(19,20)10-12-5-3-2-4-6-12/h2-9,15,18H,10H2,1H3
InChIKeyCQMYPPPGDKAZGB-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19684084
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 19684090
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide (CID 19684072) is N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide is Cc1ccc(OC(F)F)c(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide?
The InChIKey is CQMYPPPGDKAZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-11-7-8-14(21-15(16)17)13(9-11)18-22(19,20)10-12-5-3-2-4-6-12/h2-9,15,18H,10H2,1H3.
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 19684072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).