N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide

C9H10F3NO4S — CID 66175412

IUPACN-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)CO)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO4S/c10-5-1-7(11)9(8(12)2-5)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4H2
InChIKeyVZAZSFFGBIPJIX-UHFFFAOYSA-N
MW285.24 g/mol
LogP-0.26
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide

N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 66175412) has the molecular formula C9H10F3NO4S and a molecular weight of 285.24 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID66175412
Molecular FormulaC9H10F3NO4S
Molecular Weight285.24 g/mol
Exact Mass285.03
IUPAC NameN-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)CO)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO4S/c10-5-1-7(11)9(8(12)2-5)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4H2
InChIKeyVZAZSFFGBIPJIX-UHFFFAOYSA-N
XLogP-0.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
CID 66174828
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
N-(4-bromo-2-methylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 113271251
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide (CID 66175412) is N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide is O=S(=O)(NCC(O)CO)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is VZAZSFFGBIPJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S/c10-5-1-7(11)9(8(12)2-5)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4H2.
What are the key properties of N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide?
N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 285.24 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 66175412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).