N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide

C10H12F3NO3S — CID 63000026

IUPACN-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO3S/c1-7(2)18(15,16)14-8-4-3-5-9(6-8)17-10(11,12)13/h3-7,14H,1-2H3
InChIKeyIASOKBWFVBFTPE-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.74
Rot. Bonds4

About N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide

N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide (PubChem CID 63000026) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
PubChem CID63000026
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC NameN-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO3S/c1-7(2)18(15,16)14-8-4-3-5-9(6-8)17-10(11,12)13/h3-7,14H,1-2H3
InChIKeyIASOKBWFVBFTPE-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
2-methyl-6-nitro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 52699412
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 60808101
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide (CID 63000026) is N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide?
The InChIKey is IASOKBWFVBFTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-7(2)18(15,16)14-8-4-3-5-9(6-8)17-10(11,12)13/h3-7,14H,1-2H3.
What are the key properties of N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide?
N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide has a molecular weight of 283.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 63000026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).