N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C15H11F6NO4S2 — CID 26950039

IUPACN-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F6NO4S2/c1-27(23,24)12-4-2-11(3-5-12)22-28(25,26)13-7-9(14(16,17)18)6-10(8-13)15(19,20)21/h2-8,22H,1H3
InChIKeyCUXPKEDWVKBSOP-UHFFFAOYSA-N
MW447.38 g/mol
LogP3.93
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 26950039) has the molecular formula C15H11F6NO4S2 and a molecular weight of 447.38 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID26950039
Molecular FormulaC15H11F6NO4S2
Molecular Weight447.38 g/mol
Exact Mass447.00
IUPAC NameN-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F6NO4S2/c1-27(23,24)12-4-2-11(3-5-12)22-28(25,26)13-7-9(14(16,17)18)6-10(8-13)15(19,20)21/h2-8,22H,1H3
InChIKeyCUXPKEDWVKBSOP-UHFFFAOYSA-N
XLogP3.93
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3508970
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
CID 3781466
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 26950039) is N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is CUXPKEDWVKBSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO4S2/c1-27(23,24)12-4-2-11(3-5-12)22-28(25,26)13-7-9(14(16,17)18)6-10(8-13)15(19,20)21/h2-8,22H,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 447.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26950039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).