2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide

C13H10F3NO3S — CID 3588933

IUPAC2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO3S/c14-10-5-6-11(13(16)12(10)15)21(19,20)17-9-3-1-8(7-18)2-4-9/h1-6,17-18H,7H2
InChIKeyQDSIEYIRFVTUJG-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.40
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide

2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 3588933) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID3588933
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC Name2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO3S/c14-10-5-6-11(13(16)12(10)15)21(19,20)17-9-3-1-8(7-18)2-4-9/h1-6,17-18H,7H2
InChIKeyQDSIEYIRFVTUJG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794886
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 24602915
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (CID 3588933) is 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CO)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is QDSIEYIRFVTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c14-10-5-6-11(13(16)12(10)15)21(19,20)17-9-3-1-8(7-18)2-4-9/h1-6,17-18H,7H2.
What are the key properties of 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
2,3,4-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 2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3588933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).