1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide

C12H14FN3O2S — CID 6464781

IUPAC1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)cc2C)cn1
InChIInChI=1S/C12H14FN3O2S/c1-3-16-8-11(7-14-16)19(17,18)15-12-5-4-10(13)6-9(12)2/h4-8,15H,3H2,1-2H3
InChIKeySCMYTCVLAUPYPR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.15
Rot. Bonds4

About 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide

1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 6464781) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide
PubChem CID6464781
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)cc2C)cn1
InChIInChI=1S/C12H14FN3O2S/c1-3-16-8-11(7-14-16)19(17,18)15-12-5-4-10(13)6-9(12)2/h4-8,15H,3H2,1-2H3
InChIKeySCMYTCVLAUPYPR-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide (CID 6464781) is 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(F)cc2C)cn1.
What is the InChIKey of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is SCMYTCVLAUPYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-3-16-8-11(7-14-16)19(17,18)15-12-5-4-10(13)6-9(12)2/h4-8,15H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide?
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6464781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).