N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H14F3NO5S — CID 3863930

IUPACN-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C15H14F3NO5S/c1-22-13-8-3-10(9-14(13)23-2)19-25(20,21)12-6-4-11(5-7-12)24-15(16,17)18/h3-9,19H,1-2H3
InChIKeyXYPQXWQRBCDKHI-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.40
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3863930) has the molecular formula C15H14F3NO5S and a molecular weight of 377.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3863930
Molecular FormulaC15H14F3NO5S
Molecular Weight377.34 g/mol
Exact Mass377.05
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C15H14F3NO5S/c1-22-13-8-3-10(9-14(13)23-2)19-25(20,21)12-6-4-11(5-7-12)24-15(16,17)18/h3-9,19H,1-2H3
InChIKeyXYPQXWQRBCDKHI-UHFFFAOYSA-N
XLogP3.40
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 36514229
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
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-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3863930) is N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XYPQXWQRBCDKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO5S/c1-22-13-8-3-10(9-14(13)23-2)19-25(20,21)12-6-4-11(5-7-12)24-15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 377.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3863930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).