4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide

C15H24FNO3S — CID 106022413

IUPAC4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C15H24FNO3S/c1-3-5-7-13(6-4-2)17-21(19,20)14-8-9-15(16)12(10-14)11-18/h8-10,13,17-18H,3-7,11H2,1-2H3
InChIKeyPMGPNAVNOLYOCY-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.96
Rot. Bonds9

About 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide

4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide (PubChem CID 106022413) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
PubChem CID106022413
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC Name4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C15H24FNO3S/c1-3-5-7-13(6-4-2)17-21(19,20)14-8-9-15(16)12(10-14)11-18/h8-10,13,17-18H,3-7,11H2,1-2H3
InChIKeyPMGPNAVNOLYOCY-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
3-(ethylaminomethyl)-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 106055487
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
CID 106022501
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
4-(2,4-difluorophenyl)-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254013
N-heptan-4-yl-4-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 166804772
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
6-amino-N-octan-4-ylpyridine-3-sulfonamide
CID 106022026
N-[(3R)-1-hydroxyhexan-3-yl]-4-(2,4,6-trifluorophenyl)benzenesulfonamide
CID 129034613
3-(hydroxymethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114132275
6-hydrazinyl-N-octan-4-ylpyridine-3-sulfonamide
CID 106025657

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide (CID 106022413) is 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide is CCCCC(CCC)NS(=O)(=O)c1ccc(F)c(CO)c1.
What is the InChIKey of 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
The InChIKey is PMGPNAVNOLYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-3-5-7-13(6-4-2)17-21(19,20)14-8-9-15(16)12(10-14)11-18/h8-10,13,17-18H,3-7,11H2,1-2H3.
What are the key properties of 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide?
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide is sourced from PubChem (CID 106022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).