2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

C14H19N3O2S — CID 115692563

IUPAC2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C)cc2C)n[nH]1
InChIInChI=1S/C14H19N3O2S/c1-4-5-12-9-14(16-15-12)17-20(18,19)13-7-6-10(2)8-11(13)3/h6-9H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyYESITCJWVISXPG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.78
Rot. Bonds5

About 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 115692563) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID115692563
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C)cc2C)n[nH]1
InChIInChI=1S/C14H19N3O2S/c1-4-5-12-9-14(16-15-12)17-20(18,19)13-7-6-10(2)8-11(13)3/h6-9H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyYESITCJWVISXPG-UHFFFAOYSA-N
XLogP2.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
3-amino-2,6-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616869
N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 104620727
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
N-(5-propyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 115698347
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 115692563) is 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is CCCc1cc(NS(=O)(=O)c2ccc(C)cc2C)n[nH]1.
What is the InChIKey of 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is YESITCJWVISXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-5-12-9-14(16-15-12)17-20(18,19)13-7-6-10(2)8-11(13)3/h6-9H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 115692563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).