4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide

C11H14F3NO3S — CID 83059270

IUPAC4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccc(CO)cc1
InChIInChI=1S/C11H14F3NO3S/c12-11(13,14)6-1-7-19(17,18)15-10-4-2-9(8-16)3-5-10/h2-5,15-16H,1,6-8H2
InChIKeyQQBHUVYLUUROSQ-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.26
Rot. Bonds6

About 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide (PubChem CID 83059270) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide
PubChem CID83059270
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccc(CO)cc1
InChIInChI=1S/C11H14F3NO3S/c12-11(13,14)6-1-7-19(17,18)15-10-4-2-9(8-16)3-5-10/h2-5,15-16H,1,6-8H2
InChIKeyQQBHUVYLUUROSQ-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide (CID 83059270) is 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1ccc(CO)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide?
The InChIKey is QQBHUVYLUUROSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c12-11(13,14)6-1-7-19(17,18)15-10-4-2-9(8-16)3-5-10/h2-5,15-16H,1,6-8H2.
What are the key properties of 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[4-(hydroxymethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 83059270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).