1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide

C11H14ClN3O3S — CID 3101201

IUPAC1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O3S/c12-8-3-5-9(6-4-8)19(17,18)15-7-1-2-10(15)11(16)14-13/h3-6,10H,1-2,7,13H2,(H,14,16)
InChIKeyDMYUYRAHAWEPAD-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.48
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide

1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide (PubChem CID 3101201) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide
PubChem CID3101201
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O3S/c12-8-3-5-9(6-4-8)19(17,18)15-7-1-2-10(15)11(16)14-13/h3-6,10H,1-2,7,13H2,(H,14,16)
InChIKeyDMYUYRAHAWEPAD-UHFFFAOYSA-N
XLogP0.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide (CID 3101201) is 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide is NNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The InChIKey is DMYUYRAHAWEPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-8-3-5-9(6-4-8)19(17,18)15-7-1-2-10(15)11(16)14-13/h3-6,10H,1-2,7,13H2,(H,14,16).
What are the key properties of 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide has a molecular weight of 303.77 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 3101201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).