4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C15H21N3O4S — CID 118538509

IUPAC4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(-c2[nH]n(C)c(=O)c2C)cc1
InChIInChI=1S/C15H21N3O4S/c1-11-14(16-18(3)15(11)19)12-5-7-13(8-6-12)23(20,21)17(2)9-10-22-4/h5-8,16H,9-10H2,1-4H3
InChIKeyFSTVPRRBZRIUCR-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.96
Rot. Bonds6

About 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 118538509) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID118538509
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(-c2[nH]n(C)c(=O)c2C)cc1
InChIInChI=1S/C15H21N3O4S/c1-11-14(16-18(3)15(11)19)12-5-7-13(8-6-12)23(20,21)17(2)9-10-22-4/h5-8,16H,9-10H2,1-4H3
InChIKeyFSTVPRRBZRIUCR-UHFFFAOYSA-N
XLogP0.96
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 118538509) is 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(-c2[nH]n(C)c(=O)c2C)cc1.
What is the InChIKey of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is FSTVPRRBZRIUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-14(16-18(3)15(11)19)12-5-7-13(8-6-12)23(20,21)17(2)9-10-22-4/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 118538509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).