N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide

C12H14FN3O3S — CID 97239410

IUPACN-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@H](CO)c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-16-7-9(6-14-16)20(18,19)15-12(8-17)10-4-2-3-5-11(10)13/h2-7,12,15,17H,8H2,1H3/t12-/m1/s1
InChIKeyMXYRLFXLBJRGDS-GFCCVEGCSA-N
MW299.33 g/mol
LogP0.57
Rot. Bonds5

About N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide

N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 97239410) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID97239410
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC NameN-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@H](CO)c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-16-7-9(6-14-16)20(18,19)15-12(8-17)10-4-2-3-5-11(10)13/h2-7,12,15,17H,8H2,1H3/t12-/m1/s1
InChIKeyMXYRLFXLBJRGDS-GFCCVEGCSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide (CID 97239410) is N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@H](CO)c2ccccc2F)cn1.
What is the InChIKey of N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MXYRLFXLBJRGDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-16-7-9(6-14-16)20(18,19)15-12(8-17)10-4-2-3-5-11(10)13/h2-7,12,15,17H,8H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 299.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 97239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).