N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide

C12H14FN3O2S — CID 19582329

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H14FN3O2S/c1-2-19(17,18)15-12-7-14-16(9-12)8-10-4-3-5-11(13)6-10/h3-7,9,15H,2,8H2,1H3
InChIKeyYZTDFILOZRPZGD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.83
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide (PubChem CID 19582329) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
PubChem CID19582329
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H14FN3O2S/c1-2-19(17,18)15-12-7-14-16(9-12)8-10-4-3-5-11(13)6-10/h3-7,9,15H,2,8H2,1H3
InChIKeyYZTDFILOZRPZGD-UHFFFAOYSA-N
XLogP1.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide (CID 19582329) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The InChIKey is YZTDFILOZRPZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-2-19(17,18)15-12-7-14-16(9-12)8-10-4-3-5-11(13)6-10/h3-7,9,15H,2,8H2,1H3.
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 19582329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).