[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

C11H17ClN4O2S — CID 79180624

IUPAC[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCC1CN(S(=O)(=O)c2cnc(NN)c(Cl)c2)CC1C
InChIInChI=1S/C11H17ClN4O2S/c1-7-5-16(6-8(7)2)19(17,18)9-3-10(12)11(15-13)14-4-9/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyYPFYCTKABBMGEC-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.30
Rot. Bonds3

About [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (PubChem CID 79180624) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
PubChem CID79180624
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCC1CN(S(=O)(=O)c2cnc(NN)c(Cl)c2)CC1C
InChIInChI=1S/C11H17ClN4O2S/c1-7-5-16(6-8(7)2)19(17,18)9-3-10(12)11(15-13)14-4-9/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyYPFYCTKABBMGEC-UHFFFAOYSA-N
XLogP1.30
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The IUPAC name of [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (CID 79180624) is [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The canonical SMILES for [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is CC1CN(S(=O)(=O)c2cnc(NN)c(Cl)c2)CC1C.
What is the InChIKey of [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The InChIKey is YPFYCTKABBMGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c1-7-5-16(6-8(7)2)19(17,18)9-3-10(12)11(15-13)14-4-9/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine has a molecular weight of 304.80 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 79180624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).