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

C9H12ClFN2O4S — CID 66175671

IUPAC5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C9H12ClFN2O4S/c10-7-1-5(12)2-8(9(7)11)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4,12H2
InChIKeyHUHIEUWIOKBHRO-UHFFFAOYSA-N
MW298.72 g/mol
LogP-0.31
Rot. Bonds5

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

5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide (PubChem CID 66175671) has the molecular formula C9H12ClFN2O4S and a molecular weight of 298.72 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
PubChem CID66175671
Molecular FormulaC9H12ClFN2O4S
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C9H12ClFN2O4S/c10-7-1-5(12)2-8(9(7)11)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4,12H2
InChIKeyHUHIEUWIOKBHRO-UHFFFAOYSA-N
XLogP-0.31
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 5-0.31
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-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
CID 66174828
5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333254
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
CID 66170591
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43258948
3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164884
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide (CID 66175671) is 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)NCC(O)CO)c1.
What is the InChIKey of 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
The InChIKey is HUHIEUWIOKBHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O4S/c10-7-1-5(12)2-8(9(7)11)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4,12H2.
What are the key properties of 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide has a molecular weight of 298.72 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 66175671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).