3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H13F2NO3S — CID 107232758

IUPAC3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO3S/c15-12-5-13(16)7-14(6-12)21(19,20)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyKFILPFUHKOPRTP-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.94
Rot. Bonds5

About 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 107232758) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID107232758
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO3S/c15-12-5-13(16)7-14(6-12)21(19,20)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyKFILPFUHKOPRTP-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-amino-N-[(4-cyanophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322839
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 107232758) is 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(CO)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is KFILPFUHKOPRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c15-12-5-13(16)7-14(6-12)21(19,20)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2.
What are the key properties of 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 107232758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).