2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO4S2 — CID 992305

IUPAC2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO4S2/c1-10-6-7-13(24(2,20)21)9-14(10)25(22,23)19-12-5-3-4-11(8-12)15(16,17)18/h3-9,19H,1-2H3
InChIKeyZPXMSEIMSUWFCE-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 992305) has the molecular formula C15H14F3NO4S2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID992305
Molecular FormulaC15H14F3NO4S2
Molecular Weight393.41 g/mol
Exact Mass393.03
IUPAC Name2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO4S2/c1-10-6-7-13(24(2,20)21)9-14(10)25(22,23)19-12-5-3-4-11(8-12)15(16,17)18/h3-9,19H,1-2H3
InChIKeyZPXMSEIMSUWFCE-UHFFFAOYSA-N
XLogP3.22
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 992305) is 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ZPXMSEIMSUWFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S2/c1-10-6-7-13(24(2,20)21)9-14(10)25(22,23)19-12-5-3-4-11(8-12)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 393.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 992305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).