1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide

C9H9F4NO2S — CID 66604301

IUPAC1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(F)c(CNS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C9H9F4NO2S/c1-6-2-3-8(10)7(4-6)5-14-17(15,16)9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyBSTGTUIFUQITAK-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.07
Rot. Bonds3

About 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide (PubChem CID 66604301) has the molecular formula C9H9F4NO2S and a molecular weight of 271.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide
PubChem CID66604301
Molecular FormulaC9H9F4NO2S
Molecular Weight271.24 g/mol
Exact Mass271.03
IUPAC Name1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(F)c(CNS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C9H9F4NO2S/c1-6-2-3-8(10)7(4-6)5-14-17(15,16)9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyBSTGTUIFUQITAK-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
CID 59946035
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696342
2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
CID 158363835
3-[3-[(tert-butylsulfonylamino)methyl]-4-fluorophenyl]prop-2-enoic acid
CID 77017168
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
CID 142848449
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide (CID 66604301) is 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide is Cc1ccc(F)c(CNS(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide?
The InChIKey is BSTGTUIFUQITAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2S/c1-6-2-3-8(10)7(4-6)5-14-17(15,16)9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide has a molecular weight of 271.24 g/mol, XLogP of 2.07, 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-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 66604301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).