4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide

C15H15N3O2S2 — CID 4995607

IUPAC4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2C)cc1
InChIInChI=1S/C15H15N3O2S2/c1-11-5-7-12(8-6-11)22(19,20)17-15-10-13(16-18(15)2)14-4-3-9-21-14/h3-10,17H,1-2H3
InChIKeySKZXBWPLXQZGFY-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.26
Rot. Bonds4

About 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide

4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide (PubChem CID 4995607) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
PubChem CID4995607
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2C)cc1
InChIInChI=1S/C15H15N3O2S2/c1-11-5-7-12(8-6-11)22(19,20)17-15-10-13(16-18(15)2)14-4-3-9-21-14/h3-10,17H,1-2H3
InChIKeySKZXBWPLXQZGFY-UHFFFAOYSA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142
1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
CID 132933457
N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
4-butyl-N-[1-(4-butylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173912
[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
CID 67173775
4-methyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873607
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 67174375
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide (CID 4995607) is 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2C)cc1.
What is the InChIKey of 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is SKZXBWPLXQZGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-11-5-7-12(8-6-11)22(19,20)17-15-10-13(16-18(15)2)14-4-3-9-21-14/h3-10,17H,1-2H3.
What are the key properties of 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 4995607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).