4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide

C10H11N3O4S2 — CID 43532785

IUPAC4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C10H11N3O4S2/c1-18(14,15)9-2-4-10(5-3-9)19(16,17)13-8-6-11-12-7-8/h2-7,13H,1H3,(H,11,12)
InChIKeyGJMBCHJYENUUTE-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.61
Rot. Bonds4

About 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide

4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43532785) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43532785
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C10H11N3O4S2/c1-18(14,15)9-2-4-10(5-3-9)19(16,17)13-8-6-11-12-7-8/h2-7,13H,1H3,(H,11,12)
InChIKeyGJMBCHJYENUUTE-UHFFFAOYSA-N
XLogP0.61
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532769
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
4-cyclohexyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532736
2-(methylamino)-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62145901
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
6-hydrazinyl-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 43540315
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540299
2-hydrazinyl-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 61328332
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43532785) is 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is GJMBCHJYENUUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-18(14,15)9-2-4-10(5-3-9)19(16,17)13-8-6-11-12-7-8/h2-7,13H,1H3,(H,11,12).
What are the key properties of 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 301.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43532785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).