N-(5-formyl-3-pyridinyl)methanesulfonamide

C7H8N2O3S — CID 90104124

IUPACN-(5-formyl-3-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(C=O)c1
InChIInChI=1S/C7H8N2O3S/c1-13(11,12)9-7-2-6(5-10)3-8-4-7/h2-5,9H,1H3
InChIKeyUIAHDOYNPNWSCG-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.27
Rot. Bonds3

About N-(5-formyl-3-pyridinyl)methanesulfonamide

N-(5-formyl-3-pyridinyl)methanesulfonamide (PubChem CID 90104124) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is N-(5-formyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-formyl-3-pyridinyl)methanesulfonamide
PubChem CID90104124
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC NameN-(5-formyl-3-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(C=O)c1
InChIInChI=1S/C7H8N2O3S/c1-13(11,12)9-7-2-6(5-10)3-8-4-7/h2-5,9H,1H3
InChIKeyUIAHDOYNPNWSCG-UHFFFAOYSA-N
XLogP0.27
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.27
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-(5-formyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of N-(5-formyl-3-pyridinyl)methanesulfonamide (CID 90104124) is N-(5-formyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(5-formyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(5-formyl-3-pyridinyl)methanesulfonamide is CS(=O)(=O)Nc1cncc(C=O)c1.
What is the InChIKey of N-(5-formyl-3-pyridinyl)methanesulfonamide?
The InChIKey is UIAHDOYNPNWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-13(11,12)9-7-2-6(5-10)3-8-4-7/h2-5,9H,1H3.
What are the key properties of N-(5-formyl-3-pyridinyl)methanesulfonamide?
N-(5-formyl-3-pyridinyl)methanesulfonamide has a molecular weight of 200.22 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 90104124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).