N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide

C15H12F5NO5S — CID 36514229

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC(F)F
InChIInChI=1S/C15H12F5NO5S/c1-24-12-7-2-9(8-13(12)25-14(16)17)21-27(22,23)11-5-3-10(4-6-11)26-15(18,19)20/h2-8,14,21H,1H3
InChIKeyJUHXVHIMXORVOX-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.00
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 36514229) has the molecular formula C15H12F5NO5S and a molecular weight of 413.32 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID36514229
Molecular FormulaC15H12F5NO5S
Molecular Weight413.32 g/mol
Exact Mass413.04
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC(F)F
InChIInChI=1S/C15H12F5NO5S/c1-24-12-7-2-9(8-13(12)25-14(16)17)21-27(22,23)11-5-3-10(4-6-11)26-15(18,19)20/h2-8,14,21H,1H3
InChIKeyJUHXVHIMXORVOX-UHFFFAOYSA-N
XLogP4.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 36513836
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 46530562
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide;hydrochloride
CID 141402553
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 36514229) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JUHXVHIMXORVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO5S/c1-24-12-7-2-9(8-13(12)25-14(16)17)21-27(22,23)11-5-3-10(4-6-11)26-15(18,19)20/h2-8,14,21H,1H3.
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 413.32 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 36514229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).