1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide

C14H12F3NO2S — CID 175234546

IUPAC1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide
SMILESCc1ccc(-c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3NO2S/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)18-21(19,20)14(15,16)17/h2-9,18H,1H3
InChIKeyXFDBWLWROMABOH-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.92
Rot. Bonds3

About 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide (PubChem CID 175234546) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide
PubChem CID175234546
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide
SMILESCc1ccc(-c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3NO2S/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)18-21(19,20)14(15,16)17/h2-9,18H,1H3
InChIKeyXFDBWLWROMABOH-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide
CID 142166651
ethyl 3-[3-(trifluoromethylsulfonylamino)phenyl]benzoate
CID 86596855
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
N-[3-(3,4-dimethylbenzoyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 71388181
N-(3-aminophenyl)-1,1,1-trifluoromethanesulfonamide;methane;pentane
CID 158345532
1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene
CID 143454027
3-(4-methylphenyl)-N-methylsulfanylaniline
CID 142137448
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
O-ethyl [3-(trifluoromethylsulfonylamino)phenyl]methylsulfanylmethanethioate
CID 147553161
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide (CID 175234546) is 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide is Cc1ccc(-c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide?
The InChIKey is XFDBWLWROMABOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)18-21(19,20)14(15,16)17/h2-9,18H,1H3.
What are the key properties of 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 175234546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).