N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide

C11H14N4O2S3 — CID 2524074

IUPACN,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Sc2nncs2)nc1
InChIInChI=1S/C11H14N4O2S3/c1-3-15(4-2)20(16,17)9-5-6-10(12-7-9)19-11-14-13-8-18-11/h5-8H,3-4H2,1-2H3
InChIKeyISGMHOLCAIWBBM-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.11
Rot. Bonds6

About N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide

N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide (PubChem CID 2524074) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide
PubChem CID2524074
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC NameN,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Sc2nncs2)nc1
InChIInChI=1S/C11H14N4O2S3/c1-3-15(4-2)20(16,17)9-5-6-10(12-7-9)19-11-14-13-8-18-11/h5-8H,3-4H2,1-2H3
InChIKeyISGMHOLCAIWBBM-UHFFFAOYSA-N
XLogP2.11
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide (CID 2524074) is N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(Sc2nncs2)nc1.
What is the InChIKey of N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide?
The InChIKey is ISGMHOLCAIWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c1-3-15(4-2)20(16,17)9-5-6-10(12-7-9)19-11-14-13-8-18-11/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide?
N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide has a molecular weight of 330.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide is sourced from PubChem (CID 2524074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).