N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C17H15F6NO4S — CID 26949766

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C17H15F6NO4S/c1-9-4-14(27-2)15(28-3)8-13(9)24-29(25,26)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-8,24H,1-3H3
InChIKeyDLKXZEFCISNJBD-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.85
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 26949766) has the molecular formula C17H15F6NO4S and a molecular weight of 443.37 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID26949766
Molecular FormulaC17H15F6NO4S
Molecular Weight443.37 g/mol
Exact Mass443.06
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C17H15F6NO4S/c1-9-4-14(27-2)15(28-3)8-13(9)24-29(25,26)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-8,24H,1-3H3
InChIKeyDLKXZEFCISNJBD-UHFFFAOYSA-N
XLogP4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluoro-2-methylphenyl]-4-methylbenzenesulfonamide
CID 169373196
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 51557585
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366531
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17447496
N-[5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-fluoro-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169373194

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 26949766) is N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is COc1cc(C)c(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is DLKXZEFCISNJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO4S/c1-9-4-14(27-2)15(28-3)8-13(9)24-29(25,26)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h4-8,24H,1-3H3.
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 443.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26949766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).