5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide

C10H11N3O4S2 — CID 61394762

IUPAC5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)c1ccc(-c2[nH]ncc2S(N)(=O)=O)cc1
InChIInChI=1S/C10H11N3O4S2/c1-18(14,15)8-4-2-7(3-5-8)10-9(6-12-13-10)19(11,16)17/h2-6H,1H3,(H,12,13)(H2,11,16,17)
InChIKeyMKHYJDJZKZEIQN-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.13
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide

5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61394762) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61394762
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)c1ccc(-c2[nH]ncc2S(N)(=O)=O)cc1
InChIInChI=1S/C10H11N3O4S2/c1-18(14,15)8-4-2-7(3-5-8)10-9(6-12-13-10)19(11,16)17/h2-6H,1H3,(H,12,13)(H2,11,16,17)
InChIKeyMKHYJDJZKZEIQN-UHFFFAOYSA-N
XLogP0.13
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide (CID 61394762) is 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide is CS(=O)(=O)c1ccc(-c2[nH]ncc2S(N)(=O)=O)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MKHYJDJZKZEIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-18(14,15)8-4-2-7(3-5-8)10-9(6-12-13-10)19(11,16)17/h2-6H,1H3,(H,12,13)(H2,11,16,17).
What are the key properties of 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 301.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61394762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).