4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C11H13N3O2S — CID 2808888

IUPAC4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-12-14(11)2/h3-8,13H,1-2H3
InChIKeyRYKYYPGORNYZAE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.53
Rot. Bonds3

About 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808888) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808888
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-12-14(11)2/h3-8,13H,1-2H3
InChIKeyRYKYYPGORNYZAE-UHFFFAOYSA-N
XLogP1.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808888) is 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnn2C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is RYKYYPGORNYZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-12-14(11)2/h3-8,13H,1-2H3.
What are the key properties of 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).