3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide

C11H16FNO3S — CID 75387120

IUPAC3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCF)NCc1cccc(CO)c1
InChIInChI=1S/C11H16FNO3S/c12-5-2-6-17(15,16)13-8-10-3-1-4-11(7-10)9-14/h1,3-4,7,13-14H,2,5-6,8-9H2
InChIKeyISUMLTHXSYVFFO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.96
Rot. Bonds7

About 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide

3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide (PubChem CID 75387120) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
PubChem CID75387120
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCF)NCc1cccc(CO)c1
InChIInChI=1S/C11H16FNO3S/c12-5-2-6-17(15,16)13-8-10-3-1-4-11(7-10)9-14/h1,3-4,7,13-14H,2,5-6,8-9H2
InChIKeyISUMLTHXSYVFFO-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]butanoate
CID 63311717
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766
3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide
CID 75443925
ethyl 2-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]acetate
CID 63311718
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
4-chloro-N-[(3-fluorophenyl)methyl]butane-1-sulfonamide
CID 116815181
3-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 107232812
[3-[(3-ethylsulfonylpropylamino)methyl]phenyl]methanol
CID 107230636
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
CID 63290144

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide (CID 75387120) is 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide is O=S(=O)(CCCF)NCc1cccc(CO)c1.
What is the InChIKey of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide?
The InChIKey is ISUMLTHXSYVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c12-5-2-6-17(15,16)13-8-10-3-1-4-11(7-10)9-14/h1,3-4,7,13-14H,2,5-6,8-9H2.
What are the key properties of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide?
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 75387120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).