N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide

C12H19N3O2S — CID 75267481

IUPACN-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)C1CNNC1
InChIInChI=1S/C12H19N3O2S/c1-3-15(12-7-5-4-6-10(12)2)18(16,17)11-8-13-14-9-11/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyDLWKVNJBQGAMRP-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.63
Rot. Bonds4

About N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide

N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide (PubChem CID 75267481) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide
PubChem CID75267481
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)C1CNNC1
InChIInChI=1S/C12H19N3O2S/c1-3-15(12-7-5-4-6-10(12)2)18(16,17)11-8-13-14-9-11/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyDLWKVNJBQGAMRP-UHFFFAOYSA-N
XLogP0.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide (CID 75267481) is N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide is CCN(c1ccccc1C)S(=O)(=O)C1CNNC1.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide?
The InChIKey is DLWKVNJBQGAMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-15(12-7-5-4-6-10(12)2)18(16,17)11-8-13-14-9-11/h4-7,11,13-14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide?
N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide is sourced from PubChem (CID 75267481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).