4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C15H21N3O3S — CID 4089498

IUPAC4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1
InChIInChI=1S/C15H21N3O3S/c1-4-18-12-13(10-16-18)11-17(3)22(19,20)15-8-6-14(7-9-15)21-5-2/h6-10,12H,4-5,11H2,1-3H3
InChIKeyCTGYXNZSFFQVIT-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.12
Rot. Bonds7

About 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 4089498) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID4089498
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1
InChIInChI=1S/C15H21N3O3S/c1-4-18-12-13(10-16-18)11-17(3)22(19,20)15-8-6-14(7-9-15)21-5-2/h6-10,12H,4-5,11H2,1-3H3
InChIKeyCTGYXNZSFFQVIT-UHFFFAOYSA-N
XLogP2.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 4089498) is 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is CTGYXNZSFFQVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-4-18-12-13(10-16-18)11-17(3)22(19,20)15-8-6-14(7-9-15)21-5-2/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 4089498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).