5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide

C9H13FN2O4S — CID 66175882

IUPAC5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C9H13FN2O4S/c10-8-2-1-6(11)3-9(8)17(15,16)12-4-7(14)5-13/h1-3,7,12-14H,4-5,11H2
InChIKeyQYQCHLJKIWSEHS-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.96
Rot. Bonds5

About 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide

5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide (PubChem CID 66175882) has the molecular formula C9H13FN2O4S and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
PubChem CID66175882
Molecular FormulaC9H13FN2O4S
Molecular Weight264.28 g/mol
Exact Mass264.06
IUPAC Name5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C9H13FN2O4S/c10-8-2-1-6(11)3-9(8)17(15,16)12-4-7(14)5-13/h1-3,7,12-14H,4-5,11H2
InChIKeyQYQCHLJKIWSEHS-UHFFFAOYSA-N
XLogP-0.96
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175671
4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
CID 66174828
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide (CID 66175882) is 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)NCC(O)CO)c1.
What is the InChIKey of 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
The InChIKey is QYQCHLJKIWSEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O4S/c10-8-2-1-6(11)3-9(8)17(15,16)12-4-7(14)5-13/h1-3,7,12-14H,4-5,11H2.
What are the key properties of 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide has a molecular weight of 264.28 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 66175882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).