2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide

C13H10F3NO3S — CID 64794886

IUPAC2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10F3NO3S/c14-9-5-11(15)13(12(16)6-9)21(19,20)17-10-3-1-8(7-18)2-4-10/h1-6,17-18H,7H2
InChIKeyPUPIHLKLSZUAEP-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.40
Rot. Bonds4

About 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide

2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 64794886) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID64794886
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC Name2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10F3NO3S/c14-9-5-11(15)13(12(16)6-9)21(19,20)17-10-3-1-8(7-18)2-4-10/h1-6,17-18H,7H2
InChIKeyPUPIHLKLSZUAEP-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(chloromethyl)phenyl]-2,4,6-trifluorobenzenesulfonamide
CID 65030916
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-[4-(hydroxymethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4677892
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857
1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64795267
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (CID 64794886) is 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CO)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is PUPIHLKLSZUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c14-9-5-11(15)13(12(16)6-9)21(19,20)17-10-3-1-8(7-18)2-4-10/h1-6,17-18H,7H2.
What are the key properties of 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 64794886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).