2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide

C10H14FNO5S2 — CID 83058758

IUPAC2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C10H14FNO5S2/c1-7(13)6-12-19(16,17)10-5-8(18(2,14)15)3-4-9(10)11/h3-5,7,12-13H,6H2,1-2H3/t7-/m1/s1
InChIKeyAWUUDJGBOROYRH-SSDOTTSWSA-N
MW311.36 g/mol
LogP-0.11
Rot. Bonds5

About 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide

2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide (PubChem CID 83058758) has the molecular formula C10H14FNO5S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
PubChem CID83058758
Molecular FormulaC10H14FNO5S2
Molecular Weight311.36 g/mol
Exact Mass311.03
IUPAC Name2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C10H14FNO5S2/c1-7(13)6-12-19(16,17)10-5-8(18(2,14)15)3-4-9(10)11/h3-5,7,12-13H,6H2,1-2H3/t7-/m1/s1
InChIKeyAWUUDJGBOROYRH-SSDOTTSWSA-N
XLogP-0.11
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537
4-fluoro-N-(2-hydroxypropyl)-3-nitrobenzenesulfonamide
CID 43502399
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide (CID 83058758) is 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide?
The InChIKey is AWUUDJGBOROYRH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14FNO5S2/c1-7(13)6-12-19(16,17)10-5-8(18(2,14)15)3-4-9(10)11/h3-5,7,12-13H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide?
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 83058758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).