N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide

C12H14FN3O3S — CID 75436041

IUPACN-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCO)c2cccc(F)c2)cn1
InChIInChI=1S/C12H14FN3O3S/c1-15-9-12(8-14-15)20(18,19)16(5-6-17)11-4-2-3-10(13)7-11/h2-4,7-9,17H,5-6H2,1H3
InChIKeyABYGFKCXHYECEO-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.75
Rot. Bonds5

About N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide

N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 75436041) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID75436041
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC NameN-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCO)c2cccc(F)c2)cn1
InChIInChI=1S/C12H14FN3O3S/c1-15-9-12(8-14-15)20(18,19)16(5-6-17)11-4-2-3-10(13)7-11/h2-4,7-9,17H,5-6H2,1H3
InChIKeyABYGFKCXHYECEO-UHFFFAOYSA-N
XLogP0.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide (CID 75436041) is N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CCO)c2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is ABYGFKCXHYECEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-15-9-12(8-14-15)20(18,19)16(5-6-17)11-4-2-3-10(13)7-11/h2-4,7-9,17H,5-6H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 299.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 75436041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).