1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide

C12H14FN3O2S — CID 19582268

IUPAC1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C12H14FN3O2S/c1-2-16-9-12(8-14-16)19(17,18)15-7-10-3-5-11(13)6-4-10/h3-6,8-9,15H,2,7H2,1H3
InChIKeyAIIDRQQAZWXSKG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds5

About 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 19582268) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID19582268
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C12H14FN3O2S/c1-2-16-9-12(8-14-16)19(17,18)15-7-10-3-5-11(13)6-4-10/h3-6,8-9,15H,2,7H2,1H3
InChIKeyAIIDRQQAZWXSKG-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide
CID 84597084
N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 126823213
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide (CID 19582268) is 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is AIIDRQQAZWXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-2-16-9-12(8-14-16)19(17,18)15-7-10-3-5-11(13)6-4-10/h3-6,8-9,15H,2,7H2,1H3.
What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19582268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).