6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide

C10H13N3O4S2 — CID 115602709

IUPAC6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H13N3O4S2/c1-18(14,15)6-2-5-13-19(16,17)10-4-3-9(7-11)12-8-10/h3-4,8,13H,2,5-6H2,1H3
InChIKeyGRMAPYBMYBBFCK-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.33
Rot. Bonds6

About 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide

6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide (PubChem CID 115602709) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
PubChem CID115602709
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC Name6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H13N3O4S2/c1-18(14,15)6-2-5-13-19(16,17)10-4-3-9(7-11)12-8-10/h3-4,8,13H,2,5-6H2,1H3
InChIKeyGRMAPYBMYBBFCK-UHFFFAOYSA-N
XLogP-0.33
TPSA116.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
methyl 6-[(6-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 115602651
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide (CID 115602709) is 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide is CS(=O)(=O)CCCNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The InChIKey is GRMAPYBMYBBFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S2/c1-18(14,15)6-2-5-13-19(16,17)10-4-3-9(7-11)12-8-10/h3-4,8,13H,2,5-6H2,1H3.
What are the key properties of 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide has a molecular weight of 303.37 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).