(4-pentyl-2-pyridinyl)sulfonylformamide

C11H16N2O3S — CID 173090065

IUPAC(4-pentyl-2-pyridinyl)sulfonylformamide
SMILESCCCCCc1ccnc(S(=O)(=O)C(N)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-2-3-4-5-9-6-7-13-10(8-9)17(15,16)11(12)14/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyMZUKGZLSYYFDNA-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.67
Rot. Bonds5

About (4-pentyl-2-pyridinyl)sulfonylformamide

(4-pentyl-2-pyridinyl)sulfonylformamide (PubChem CID 173090065) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (4-pentyl-2-pyridinyl)sulfonylformamide.

Molecular Properties

Compound Name(4-pentyl-2-pyridinyl)sulfonylformamide
PubChem CID173090065
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(4-pentyl-2-pyridinyl)sulfonylformamide
SMILESCCCCCc1ccnc(S(=O)(=O)C(N)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-2-3-4-5-9-6-7-13-10(8-9)17(15,16)11(12)14/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyMZUKGZLSYYFDNA-UHFFFAOYSA-N
XLogP1.67
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-methylsulfonylpyridine
CID 148809868
4-butyl-2-ethylsulfonylpyridine
CID 173100976
4-docosylpyridine-2-carboxylic acid
CID 174759337
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
3-[2-(methylsulfamoyl)-4-pyridinyl]propanamide
CID 70888072
2-chloro-4-hexadecylpyridine
CID 170566187

Frequently Asked Questions

What is the IUPAC name of (4-pentyl-2-pyridinyl)sulfonylformamide?
The IUPAC name of (4-pentyl-2-pyridinyl)sulfonylformamide (CID 173090065) is (4-pentyl-2-pyridinyl)sulfonylformamide.
What is the SMILES notation for (4-pentyl-2-pyridinyl)sulfonylformamide?
The canonical SMILES for (4-pentyl-2-pyridinyl)sulfonylformamide is CCCCCc1ccnc(S(=O)(=O)C(N)=O)c1.
What is the InChIKey of (4-pentyl-2-pyridinyl)sulfonylformamide?
The InChIKey is MZUKGZLSYYFDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-4-5-9-6-7-13-10(8-9)17(15,16)11(12)14/h6-8H,2-5H2,1H3,(H2,12,14).
What are the key properties of (4-pentyl-2-pyridinyl)sulfonylformamide?
(4-pentyl-2-pyridinyl)sulfonylformamide has a molecular weight of 256.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentyl-2-pyridinyl)sulfonylformamide is sourced from PubChem (CID 173090065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).