3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol

C10H14FNO4S — CID 168593347

IUPAC3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol
SMILESCS(=O)(=O)c1ccc(F)c(NCC(O)CO)c1
InChIInChI=1S/C10H14FNO4S/c1-17(15,16)8-2-3-9(11)10(4-8)12-5-7(14)6-13/h2-4,7,12-14H,5-6H2,1H3
InChIKeySSWPTFMFHBRCLL-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.01
Rot. Bonds5

About 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol

3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol (PubChem CID 168593347) has the molecular formula C10H14FNO4S and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol
PubChem CID168593347
Molecular FormulaC10H14FNO4S
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC Name3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol
SMILESCS(=O)(=O)c1ccc(F)c(NCC(O)CO)c1
InChIInChI=1S/C10H14FNO4S/c1-17(15,16)8-2-3-9(11)10(4-8)12-5-7(14)6-13/h2-4,7,12-14H,5-6H2,1H3
InChIKeySSWPTFMFHBRCLL-UHFFFAOYSA-N
XLogP-0.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
2-fluoro-N-(3-methylbutan-2-yl)-5-methylsulfonylaniline
CID 43717671
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
N-[(4-ethylphenyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 43717610
3-(2-chloro-5-propan-2-ylsulfonylanilino)propane-1,2-diol
CID 168597429
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510
N-[(4-bromophenyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 43717602
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168593744
2-fluoro-5-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760465
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 66410951

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol?
The IUPAC name of 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol (CID 168593347) is 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol is CS(=O)(=O)c1ccc(F)c(NCC(O)CO)c1.
What is the InChIKey of 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol?
The InChIKey is SSWPTFMFHBRCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S/c1-17(15,16)8-2-3-9(11)10(4-8)12-5-7(14)6-13/h2-4,7,12-14H,5-6H2,1H3.
What are the key properties of 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol?
3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol has a molecular weight of 263.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol is sourced from PubChem (CID 168593347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).