4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide

C12H15N3O2S — CID 139907334

IUPAC4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide
SMILESCCc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N3O2S/c1-3-10-8-9(2)15(14-10)11-4-6-12(7-5-11)18(13,16)17/h4-8H,3H2,1-2H3,(H2,13,16,17)
InChIKeyVMHDTHKDJNQRIN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.39
Rot. Bonds3

About 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide

4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 139907334) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID139907334
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide
SMILESCCc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N3O2S/c1-3-10-8-9(2)15(14-10)11-4-6-12(7-5-11)18(13,16)17/h4-8H,3H2,1-2H3,(H2,13,16,17)
InChIKeyVMHDTHKDJNQRIN-UHFFFAOYSA-N
XLogP1.39
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide (CID 139907334) is 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide is CCc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is VMHDTHKDJNQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-10-8-9(2)15(14-10)11-4-6-12(7-5-11)18(13,16)17/h4-8H,3H2,1-2H3,(H2,13,16,17).
What are the key properties of 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide?
4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 139907334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).