N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

C14H12F3NO5S2 — CID 24662483

IUPACN-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3NO5S2/c1-24(19,20)12-7-5-10(6-8-12)18-25(21,22)13-4-2-3-11(9-13)23-14(15,16)17/h2-9,18H,1H3
InChIKeyKYMGFBOELQCFGI-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.79
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide

N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24662483) has the molecular formula C14H12F3NO5S2 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID24662483
Molecular FormulaC14H12F3NO5S2
Molecular Weight395.38 g/mol
Exact Mass395.01
IUPAC NameN-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3NO5S2/c1-24(19,20)12-7-5-10(6-8-12)18-25(21,22)13-4-2-3-11(9-13)23-14(15,16)17/h2-9,18H,1H3
InChIKeyKYMGFBOELQCFGI-UHFFFAOYSA-N
XLogP2.79
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N,N-diethyl-2-methyl-5-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide
CID 31692130
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 24662483) is N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is KYMGFBOELQCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO5S2/c1-24(19,20)12-7-5-10(6-8-12)18-25(21,22)13-4-2-3-11(9-13)23-14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 395.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24662483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).