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N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide

C13H17N3O3S — CID 79042214

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide
SMILESCc1ncccc1NCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C13H17N3O3S/c1-10-12(5-4-8-14-10)15-9-11-6-7-13(19-11)20(17,18)16(2)3/h4-8,15H,9H2,1-3H3
InChIKeyZFVMIPDXXFYBMD-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds5

About N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide (PubChem CID 79042214) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide
PubChem CID79042214
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide
SMILESCc1ncccc1NCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C13H17N3O3S/c1-10-12(5-4-8-14-10)15-9-11-6-7-13(19-11)20(17,18)16(2)3/h4-8,15H,9H2,1-3H3
InChIKeyZFVMIPDXXFYBMD-UHFFFAOYSA-N
XLogP1.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide (CID 79042214) is N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide is Cc1ncccc1NCc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide?
The InChIKey is ZFVMIPDXXFYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-12(5-4-8-14-10)15-9-11-6-7-13(19-11)20(17,18)16(2)3/h4-8,15H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 79042214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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