4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide

C11H13N3O2S — CID 706169

IUPAC4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
InChIKeyBJJWJFXXXQZNIU-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.14
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide

4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide (PubChem CID 706169) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
PubChem CID706169
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
InChIKeyBJJWJFXXXQZNIU-UHFFFAOYSA-N
XLogP1.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide (CID 706169) is 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide is Cc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is BJJWJFXXXQZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 706169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).