N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide

C10H14FNO4S — CID 23850398

IUPACN-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(O)CO)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO4S/c1-12(6-8(14)7-13)17(15,16)10-5-3-2-4-9(10)11/h2-5,8,13-14H,6-7H2,1H3
InChIKeyGYMPEVQMTXSTTF-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.20
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide

N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 23850398) has the molecular formula C10H14FNO4S and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID23850398
Molecular FormulaC10H14FNO4S
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC NameN-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(O)CO)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO4S/c1-12(6-8(14)7-13)17(15,16)10-5-3-2-4-9(10)11/h2-5,8,13-14H,6-7H2,1H3
InChIKeyGYMPEVQMTXSTTF-UHFFFAOYSA-N
XLogP-0.20
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide (CID 23850398) is N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide is CN(CC(O)CO)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GYMPEVQMTXSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S/c1-12(6-8(14)7-13)17(15,16)10-5-3-2-4-9(10)11/h2-5,8,13-14H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide?
N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 263.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 23850398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).