3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide

C14H18FN3O4S — CID 71907947

IUPAC3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C14H18FN3O4S/c1-17(9-11(19)10-22-2)23(20,21)12-4-5-14(13(15)8-12)18-7-3-6-16-18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyXREVERWYNDTYNL-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.64
Rot. Bonds7

About 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide

3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 71907947) has the molecular formula C14H18FN3O4S and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID71907947
Molecular FormulaC14H18FN3O4S
Molecular Weight343.38 g/mol
Exact Mass343.10
IUPAC Name3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C14H18FN3O4S/c1-17(9-11(19)10-22-2)23(20,21)12-4-5-14(13(15)8-12)18-7-3-6-16-18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyXREVERWYNDTYNL-UHFFFAOYSA-N
XLogP0.64
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide (CID 71907947) is 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide is COCC(O)CN(C)S(=O)(=O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is XREVERWYNDTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O4S/c1-17(9-11(19)10-22-2)23(20,21)12-4-5-14(13(15)8-12)18-7-3-6-16-18/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide?
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 343.38 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 71907947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).