N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide

C14H19N3O3S — CID 115750892

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2c(C)cc(OC)cc2C)n[nH]1
InChIInChI=1S/C14H19N3O3S/c1-5-11-8-13(16-15-11)17-21(18,19)14-9(2)6-12(20-4)7-10(14)3/h6-8H,5H2,1-4H3,(H2,15,16,17)
InChIKeySRWGUJWQKUUBHR-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.40
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 115750892) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID115750892
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2c(C)cc(OC)cc2C)n[nH]1
InChIInChI=1S/C14H19N3O3S/c1-5-11-8-13(16-15-11)17-21(18,19)14-9(2)6-12(20-4)7-10(14)3/h6-8H,5H2,1-4H3,(H2,15,16,17)
InChIKeySRWGUJWQKUUBHR-UHFFFAOYSA-N
XLogP2.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 115750892) is N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide is CCc1cc(NS(=O)(=O)c2c(C)cc(OC)cc2C)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is SRWGUJWQKUUBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-5-11-8-13(16-15-11)17-21(18,19)14-9(2)6-12(20-4)7-10(14)3/h6-8H,5H2,1-4H3,(H2,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.40, 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)-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 115750892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).