N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide

C14H12F3NO3S — CID 60532633

IUPACN-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H12F3NO3S/c1-9-6-7-10(15)13(8-9)22(19,20)18-11-4-2-3-5-12(11)21-14(16)17/h2-8,14,18H,1H3
InChIKeyLATGESZEGUQFIS-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 60532633) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
PubChem CID60532633
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H12F3NO3S/c1-9-6-7-10(15)13(8-9)22(19,20)18-11-4-2-3-5-12(11)21-14(16)17/h2-8,14,18H,1H3
InChIKeyLATGESZEGUQFIS-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide (CID 60532633) is N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is LATGESZEGUQFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-9-6-7-10(15)13(8-9)22(19,20)18-11-4-2-3-5-12(11)21-14(16)17/h2-8,14,18H,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 60532633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).