4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide

C17H25N3O3S — CID 46353522

IUPAC4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3O3S/c1-6-23-15-7-9-16(10-8-15)24(21,22)19(4)12-11-17-13(2)18-20(5)14(17)3/h7-10H,6,11-12H2,1-5H3
InChIKeyHXUCZHFLXUQRPO-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.30
Rot. Bonds7

About 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide

4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 46353522) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID46353522
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3O3S/c1-6-23-15-7-9-16(10-8-15)24(21,22)19(4)12-11-17-13(2)18-20(5)14(17)3/h7-10H,6,11-12H2,1-5H3
InChIKeyHXUCZHFLXUQRPO-UHFFFAOYSA-N
XLogP2.30
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 46353522) is 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is HXUCZHFLXUQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-6-23-15-7-9-16(10-8-15)24(21,22)19(4)12-11-17-13(2)18-20(5)14(17)3/h7-10H,6,11-12H2,1-5H3.
What are the key properties of 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46353522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).