N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

C15H14F3NO3S — CID 31669223

IUPACN-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO3S/c1-10-6-7-11(2)14(8-10)19-23(20,21)13-5-3-4-12(9-13)22-15(16,17)18/h3-9,19H,1-2H3
InChIKeyDEZDOEAGCALRLE-UHFFFAOYSA-N
MW345.34 g/mol
LogP4.00
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31669223) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID31669223
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO3S/c1-10-6-7-11(2)14(8-10)19-23(20,21)13-5-3-4-12(9-13)22-15(16,17)18/h3-9,19H,1-2H3
InChIKeyDEZDOEAGCALRLE-UHFFFAOYSA-N
XLogP4.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N,N-diethyl-2-methyl-5-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide
CID 31692130
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 31669223) is N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DEZDOEAGCALRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-10-6-7-11(2)14(8-10)19-23(20,21)13-5-3-4-12(9-13)22-15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31669223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).