1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide

C10H12F3NO3S — CID 102260980

IUPAC1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide
SMILESO=S(=O)(NCCCc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c11-10(12,13)18(16,17)14-7-1-2-8-3-5-9(15)6-4-8/h3-6,14-15H,1-2,7H2
InChIKeyVMOTWQJRDLLWBD-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.76
Rot. Bonds5

About 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide (PubChem CID 102260980) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide
PubChem CID102260980
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide
SMILESO=S(=O)(NCCCc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c11-10(12,13)18(16,17)14-7-1-2-8-3-5-9(15)6-4-8/h3-6,14-15H,1-2,7H2
InChIKeyVMOTWQJRDLLWBD-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110423618
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(3-fluoropropyl)phenol
CID 68765958
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
4-[3-(3,5-dimethylanilino)propyl]phenol
CID 83457314
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide
CID 146273865
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide (CID 102260980) is 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide is O=S(=O)(NCCCc1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide?
The InChIKey is VMOTWQJRDLLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c11-10(12,13)18(16,17)14-7-1-2-8-3-5-9(15)6-4-8/h3-6,14-15H,1-2,7H2.
What are the key properties of 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(4-hydroxyphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 102260980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).