3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide

C9H10ClN3O2S — CID 174155277

IUPAC3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide
SMILESN#Cc1c(CCCS(N)(=O)=O)ccnc1Cl
InChIInChI=1S/C9H10ClN3O2S/c10-9-8(6-11)7(3-4-13-9)2-1-5-16(12,14)15/h3-4H,1-2,5H2,(H2,12,14,15)
InChIKeySEDUIBBRJUKCGN-UHFFFAOYSA-N
MW259.72 g/mol
LogP0.83
Rot. Bonds4

About 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide

3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide (PubChem CID 174155277) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide
PubChem CID174155277
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide
SMILESN#Cc1c(CCCS(N)(=O)=O)ccnc1Cl
InChIInChI=1S/C9H10ClN3O2S/c10-9-8(6-11)7(3-4-13-9)2-1-5-16(12,14)15/h3-4H,1-2,5H2,(H2,12,14,15)
InChIKeySEDUIBBRJUKCGN-UHFFFAOYSA-N
XLogP0.83
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide (CID 174155277) is 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide is N#Cc1c(CCCS(N)(=O)=O)ccnc1Cl.
What is the InChIKey of 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide?
The InChIKey is SEDUIBBRJUKCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c10-9-8(6-11)7(3-4-13-9)2-1-5-16(12,14)15/h3-4H,1-2,5H2,(H2,12,14,15).
What are the key properties of 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide?
3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide has a molecular weight of 259.72 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-cyano-4-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 174155277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).