1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide

C7H5F4NO2S — CID 23274155

IUPAC1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C7H5F4NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKeyAAYLSDIKTKMOFT-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.09
Rot. Bonds2

About 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide

1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 23274155) has the molecular formula C7H5F4NO2S and a molecular weight of 243.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide
PubChem CID23274155
Molecular FormulaC7H5F4NO2S
Molecular Weight243.18 g/mol
Exact Mass243.00
IUPAC Name1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C7H5F4NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKeyAAYLSDIKTKMOFT-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoroaniline
CID 9731
2-Fluoroaniline
CID 9584
2,4-Difluoroaniline
CID 9709
N-phenylaminosulfonamide
CID 15569631
3,5-Difluoroaniline
CID 96595
3-Fluoroaniline
CID 9742
1,1,1-Trifluoro-N-phenylmethanesulfonamide
CID 68012
2,3,4-Trifluoroaniline
CID 77468
4-Amino-3-fluorobenzene-1-sulfonamide
CID 4687472
Methanesulfonamide, N-phenyl-
CID 70970
3,4-Difluoroaniline
CID 77469
N-(2-Fluorophenyl)methanesulfonamide
CID 669015

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide (CID 23274155) is 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Nc1cccc(F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is AAYLSDIKTKMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H.
What are the key properties of 1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-fluorophenyl)methanesulfonamide has a molecular weight of 243.18 g/mol, XLogP of 2.09, 2 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-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 23274155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).