5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide

C9H12F2N2O4S — CID 66177364

IUPAC5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(O)CO)c(F)cc1F
InChIInChI=1S/C9H12F2N2O4S/c10-6-1-7(11)9(2-8(6)12)18(16,17)13-3-5(15)4-14/h1-2,5,13-15H,3-4,12H2
InChIKeyLKPWFFNCUTZHCG-UHFFFAOYSA-N
MW282.27 g/mol
LogP-0.82
Rot. Bonds5

About 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide

5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide (PubChem CID 66177364) has the molecular formula C9H12F2N2O4S and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
PubChem CID66177364
Molecular FormulaC9H12F2N2O4S
Molecular Weight282.27 g/mol
Exact Mass282.05
IUPAC Name5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(O)CO)c(F)cc1F
InChIInChI=1S/C9H12F2N2O4S/c10-6-1-7(11)9(2-8(6)12)18(16,17)13-3-5(15)4-14/h1-2,5,13-15H,3-4,12H2
InChIKeyLKPWFFNCUTZHCG-UHFFFAOYSA-N
XLogP-0.82
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-0.82
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-fluorobenzenesulfonamide
CID 66175882
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
CID 66174828
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175671
N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
CID 66175412
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
3-(2,3-dihydroxypropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 66168902

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide (CID 66177364) is 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide is Nc1cc(S(=O)(=O)NCC(O)CO)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is LKPWFFNCUTZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4S/c10-6-1-7(11)9(2-8(6)12)18(16,17)13-3-5(15)4-14/h1-2,5,13-15H,3-4,12H2.
What are the key properties of 5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide?
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 282.27 g/mol, XLogP of -0.82, 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)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66177364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).