N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide

C15H11F6NO4S — CID 3841687

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H11F6NO4S/c1-25-11-7-6-9(8-10(11)14(16,17)18)22-27(23,24)13-5-3-2-4-12(13)26-15(19,20)21/h2-8,22H,1H3
InChIKeyFCZZDLWWZWSZTI-UHFFFAOYSA-N
MW415.31 g/mol
LogP4.41
Rot. Bonds5

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3841687) has the molecular formula C15H11F6NO4S and a molecular weight of 415.31 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID3841687
Molecular FormulaC15H11F6NO4S
Molecular Weight415.31 g/mol
Exact Mass415.03
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H11F6NO4S/c1-25-11-7-6-9(8-10(11)14(16,17)18)22-27(23,24)13-5-3-2-4-12(13)26-15(19,20)21/h2-8,22H,1H3
InChIKeyFCZZDLWWZWSZTI-UHFFFAOYSA-N
XLogP4.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 78836615

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 3841687) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FCZZDLWWZWSZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO4S/c1-25-11-7-6-9(8-10(11)14(16,17)18)22-27(23,24)13-5-3-2-4-12(13)26-15(19,20)21/h2-8,22H,1H3.
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 415.31 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3841687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).