N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide

C13H9F4NO3S — CID 8504738

IUPACN-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F4NO3S/c14-11-6-5-10(7-12(11)15)22(19,20)18-8-1-3-9(4-2-8)21-13(16)17/h1-7,13,18H
InChIKeySSIZIPIHAOWIRM-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.37
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide

N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide (PubChem CID 8504738) has the molecular formula C13H9F4NO3S and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
PubChem CID8504738
Molecular FormulaC13H9F4NO3S
Molecular Weight335.28 g/mol
Exact Mass335.02
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F4NO3S/c14-11-6-5-10(7-12(11)15)22(19,20)18-8-1-3-9(4-2-8)21-13(16)17/h1-7,13,18H
InChIKeySSIZIPIHAOWIRM-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774852
3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 67019652
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
3-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-5-nitrobenzenesulfonamide
CID 8514887

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide (CID 8504738) is N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is SSIZIPIHAOWIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO3S/c14-11-6-5-10(7-12(11)15)22(19,20)18-8-1-3-9(4-2-8)21-13(16)17/h1-7,13,18H.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide?
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 335.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 8504738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).