N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide

C13H17N3O3S — CID 104620967

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H17N3O3S/c1-4-10-8-14-15-13(10)16-20(17,18)11-5-6-12(19-3)9(2)7-11/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyHRGTWJVLIDKFLB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.09
Rot. Bonds5

About N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 104620967) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID104620967
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H17N3O3S/c1-4-10-8-14-15-13(10)16-20(17,18)11-5-6-12(19-3)9(2)7-11/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyHRGTWJVLIDKFLB-UHFFFAOYSA-N
XLogP2.09
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 104620967) is N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is HRGTWJVLIDKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-10-8-14-15-13(10)16-20(17,18)11-5-6-12(19-3)9(2)7-11/h5-8H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 104620967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).