3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide

C11H16FNO4S — CID 54941944

IUPAC3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO4S/c1-13(7-10(14)8-17-2)18(15,16)11-5-3-4-9(12)6-11/h3-6,10,14H,7-8H2,1-2H3
InChIKeyGNBCZFJRRDNLPI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.45
Rot. Bonds6

About 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide

3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 54941944) has the molecular formula C11H16FNO4S and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
PubChem CID54941944
Molecular FormulaC11H16FNO4S
Molecular Weight277.32 g/mol
Exact Mass277.08
IUPAC Name3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO4S/c1-13(7-10(14)8-17-2)18(15,16)11-5-3-4-9(12)6-11/h3-6,10,14H,7-8H2,1-2H3
InChIKeyGNBCZFJRRDNLPI-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
CID 71907947
N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 42961147
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 54999137
1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylmethanesulfonamide
CID 54999330
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 65020928
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide (CID 54941944) is 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide is COCC(O)CN(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is GNBCZFJRRDNLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S/c1-13(7-10(14)8-17-2)18(15,16)11-5-3-4-9(12)6-11/h3-6,10,14H,7-8H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 277.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54941944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).