5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide

C13H20FNO3S — CID 102919677

IUPAC5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C13H20FNO3S/c1-3-7-15(8-4-2)19(17,18)13-9-12(14)6-5-11(13)10-16/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyAIHZENKLRDXARV-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.13
Rot. Bonds7

About 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 102919677) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
PubChem CID102919677
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C13H20FNO3S/c1-3-7-15(8-4-2)19(17,18)13-9-12(14)6-5-11(13)10-16/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyAIHZENKLRDXARV-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide
CID 102919768
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 102919797
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
CID 60607549
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919792

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide (CID 102919677) is 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is AIHZENKLRDXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-3-7-15(8-4-2)19(17,18)13-9-12(14)6-5-11(13)10-16/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 102919677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).