N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide

C16H21N3O2S — CID 113017610

IUPACN-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N(CC)c2ccccc2)nc1
InChIInChI=1S/C16H21N3O2S/c1-3-12-22(20,21)18-14-10-11-16(17-13-14)19(4-2)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12H2,1-2H3
InChIKeyFUBCBMXZLBUWRY-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.39
Rot. Bonds7

About N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide

N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113017610) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID113017610
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N(CC)c2ccccc2)nc1
InChIInChI=1S/C16H21N3O2S/c1-3-12-22(20,21)18-14-10-11-16(17-13-14)19(4-2)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12H2,1-2H3
InChIKeyFUBCBMXZLBUWRY-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113023014
N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113016544
2-ethyl-N-[6-(N-ethylanilino)-3-pyridinyl]butanamide
CID 113017550
3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 54877697
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113017591
2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
CID 82104309
N-(6-phenyl-3-pyridinyl)ethanesulfonamide
CID 110634770
N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
CID 112990134
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide (CID 113017610) is N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N(CC)c2ccccc2)nc1.
What is the InChIKey of N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is FUBCBMXZLBUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-12-22(20,21)18-14-10-11-16(17-13-14)19(4-2)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12H2,1-2H3.
What are the key properties of N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide?
N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113017610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).