N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide

C14H19N3O5S2 — CID 167948236

IUPACN-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
SMILESCCOc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1c(C)cnn1C
InChIInChI=1S/C14H19N3O5S2/c1-5-22-13-8-11(23(4,18)19)6-7-12(13)16-24(20,21)14-10(2)9-15-17(14)3/h6-9,16H,5H2,1-4H3
InChIKeyONICSHKQHRUJDY-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.33
Rot. Bonds6

About N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide

N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide (PubChem CID 167948236) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
PubChem CID167948236
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC NameN-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
SMILESCCOc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1c(C)cnn1C
InChIInChI=1S/C14H19N3O5S2/c1-5-22-13-8-11(23(4,18)19)6-7-12(13)16-24(20,21)14-10(2)9-15-17(14)3/h6-9,16H,5H2,1-4H3
InChIKeyONICSHKQHRUJDY-UHFFFAOYSA-N
XLogP1.33
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide (CID 167948236) is N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide is CCOc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1c(C)cnn1C.
What is the InChIKey of N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
The InChIKey is ONICSHKQHRUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c1-5-22-13-8-11(23(4,18)19)6-7-12(13)16-24(20,21)14-10(2)9-15-17(14)3/h6-9,16H,5H2,1-4H3.
What are the key properties of N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide?
N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide has a molecular weight of 373.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 167948236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).