N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide

C13H17N3O3S — CID 104620618

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(C)ccc2OC)n[nH]1
InChIInChI=1S/C13H17N3O3S/c1-4-10-8-13(15-14-10)16-20(17,18)12-7-9(2)5-6-11(12)19-3/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyTVRUYWWMIDKFQJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.09
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 104620618) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID104620618
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(C)ccc2OC)n[nH]1
InChIInChI=1S/C13H17N3O3S/c1-4-10-8-13(15-14-10)16-20(17,18)12-7-9(2)5-6-11(12)19-3/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyTVRUYWWMIDKFQJ-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

4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104616810
N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115750892
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822071
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 104620618) is N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide is CCc1cc(NS(=O)(=O)c2cc(C)ccc2OC)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is TVRUYWWMIDKFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-10-8-13(15-14-10)16-20(17,18)12-7-9(2)5-6-11(12)19-3/h5-8H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-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-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 104620618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).