3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide

C8H11FN2O3S — CID 15383361

IUPAC3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide
SMILESNCC(O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C8H11FN2O3S/c9-7-2-1-5(15(11,13)14)3-6(7)8(12)4-10/h1-3,8,12H,4,10H2,(H2,11,13,14)
InChIKeyLVLVILNNIYRTAM-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.53
Rot. Bonds3

About 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide

3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide (PubChem CID 15383361) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide
PubChem CID15383361
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide
SMILESNCC(O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C8H11FN2O3S/c9-7-2-1-5(15(11,13)14)3-6(7)8(12)4-10/h1-3,8,12H,4,10H2,(H2,11,13,14)
InChIKeyLVLVILNNIYRTAM-UHFFFAOYSA-N
XLogP-0.53
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
4-(3-bromo-1,2-dihydroxypropyl)-3-fluorobenzenesulfonamide
CID 171860667
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-nitrobenzenesulfonamide
CID 55681041
2-fluoro-4-sulfamoylbenzenesulfonic acid
CID 174894500
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
CID 84803337
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-methylsulfonylbenzenesulfonamide
CID 56578774
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide (CID 15383361) is 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide is NCC(O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide?
The InChIKey is LVLVILNNIYRTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c9-7-2-1-5(15(11,13)14)3-6(7)8(12)4-10/h1-3,8,12H,4,10H2,(H2,11,13,14).
What are the key properties of 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide?
3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide has a molecular weight of 234.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 15383361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).