2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide

C13H11F2NO3S — CID 64792667

IUPAC2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO3S/c14-10-3-6-12(15)13(7-10)20(18,19)16-11-4-1-9(8-17)2-5-11/h1-7,16-17H,8H2
InChIKeyDJPUYWJMGIOWAE-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.26
Rot. Bonds4

About 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide

2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 64792667) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID64792667
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO3S/c14-10-3-6-12(15)13(7-10)20(18,19)16-11-4-1-9(8-17)2-5-11/h1-7,16-17H,8H2
InChIKeyDJPUYWJMGIOWAE-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794886
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (CID 64792667) is 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CO)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is DJPUYWJMGIOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-10-3-6-12(15)13(7-10)20(18,19)16-11-4-1-9(8-17)2-5-11/h1-7,16-17H,8H2.
What are the key properties of 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 64792667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).