N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide

C13H23N3O3S — CID 3071738

IUPACN-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NCCN(CC)CC
InChIInChI=1S/C13H23N3O3S/c1-4-16(5-2)10-9-15-20(17,18)13-11-14-8-7-12(13)19-6-3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyITXNMLQSADZCHV-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.10
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide

N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide (PubChem CID 3071738) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide
PubChem CID3071738
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NCCN(CC)CC
InChIInChI=1S/C13H23N3O3S/c1-4-16(5-2)10-9-15-20(17,18)13-11-14-8-7-12(13)19-6-3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyITXNMLQSADZCHV-UHFFFAOYSA-N
XLogP1.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide (CID 3071738) is N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide is CCOc1ccncc1S(=O)(=O)NCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide?
The InChIKey is ITXNMLQSADZCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-16(5-2)10-9-15-20(17,18)13-11-14-8-7-12(13)19-6-3/h7-8,11,15H,4-6,9-10H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide?
N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 3071738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).