4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide

C15H14F3NO2S2 — CID 16615645

IUPAC4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2S2/c1-11-6-8-12(9-7-11)23(20,21)19-13-4-2-3-5-14(13)22-10-15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyVZESYPKAPHVSGW-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.45
Rot. Bonds5

About 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide

4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 16615645) has the molecular formula C15H14F3NO2S2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
PubChem CID16615645
Molecular FormulaC15H14F3NO2S2
Molecular Weight361.41 g/mol
Exact Mass361.04
IUPAC Name4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2S2/c1-11-6-8-12(9-7-11)23(20,21)19-13-4-2-3-5-14(13)22-10-15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyVZESYPKAPHVSGW-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
1-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazole-4-sulfonamide
CID 55647338
1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 112573492
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16615646
4-methoxy-3-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16962565
4-methyl-N-[2-[3-[3-[3-[2-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylprop-1-ynyl]phenyl]prop-2-ynylsulfanyl]phenyl]benzenesulfonamide
CID 11115205
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691731
2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
CID 43361756
2-[2-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 5102346
3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16621028
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide (CID 16615645) is 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is VZESYPKAPHVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S2/c1-11-6-8-12(9-7-11)23(20,21)19-13-4-2-3-5-14(13)22-10-15(16,17)18/h2-9,19H,10H2,1H3.
What are the key properties of 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 361.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16615645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).