N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

C15H11F6NO2S — CID 560900

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F6NO2S/c1-9-2-4-13(5-3-9)25(23,24)22-12-7-10(14(16,17)18)6-11(8-12)15(19,20)21/h2-8,22H,1H3
InChIKeyJZIFNFJHGFNQRB-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.83
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 560900) has the molecular formula C15H11F6NO2S and a molecular weight of 383.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID560900
Molecular FormulaC15H11F6NO2S
Molecular Weight383.31 g/mol
Exact Mass383.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F6NO2S/c1-9-2-4-13(5-3-9)25(23,24)22-12-7-10(14(16,17)18)6-11(8-12)15(19,20)21/h2-8,22H,1H3
InChIKeyJZIFNFJHGFNQRB-UHFFFAOYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 560900) is N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is JZIFNFJHGFNQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2S/c1-9-2-4-13(5-3-9)25(23,24)22-12-7-10(14(16,17)18)6-11(8-12)15(19,20)21/h2-8,22H,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 383.31 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 560900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).