1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide

C12H14FN3O2S — CID 6468105

IUPAC1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O2S/c1-2-16-9-11(8-14-16)19(17,18)15-7-10-5-3-4-6-12(10)13/h3-6,8-9,15H,2,7H2,1H3
InChIKeyAHYUXGIZQLQISM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds5

About 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 6468105) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID6468105
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O2S/c1-2-16-9-11(8-14-16)19(17,18)15-7-10-5-3-4-6-12(10)13/h3-6,8-9,15H,2,7H2,1H3
InChIKeyAHYUXGIZQLQISM-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-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide (CID 6468105) is 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is AHYUXGIZQLQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-2-16-9-11(8-14-16)19(17,18)15-7-10-5-3-4-6-12(10)13/h3-6,8-9,15H,2,7H2,1H3.
What are the key properties of 1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(2-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-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 6468105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).