N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide

C9H10F2N2O3S — CID 59569606

IUPACN-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncc(F)c(C=O)c1F
InChIInChI=1S/C9H10F2N2O3S/c1-2-3-17(15,16)13-9-8(11)6(5-14)7(10)4-12-9/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyAECCXBFBDNXKGT-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.32
Rot. Bonds5

About N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide

N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide (PubChem CID 59569606) has the molecular formula C9H10F2N2O3S and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide
PubChem CID59569606
Molecular FormulaC9H10F2N2O3S
Molecular Weight264.25 g/mol
Exact Mass264.04
IUPAC NameN-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncc(F)c(C=O)c1F
InChIInChI=1S/C9H10F2N2O3S/c1-2-3-17(15,16)13-9-8(11)6(5-14)7(10)4-12-9/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyAECCXBFBDNXKGT-UHFFFAOYSA-N
XLogP1.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide?
The IUPAC name of N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide (CID 59569606) is N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ncc(F)c(C=O)c1F.
What is the InChIKey of N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide?
The InChIKey is AECCXBFBDNXKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S/c1-2-3-17(15,16)13-9-8(11)6(5-14)7(10)4-12-9/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide?
N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide has a molecular weight of 264.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 59569606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).