N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide

C17H23N3O2S — CID 5267715

IUPACN,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
SMILESCCc1ccc(Nc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-14-7-9-15(10-8-14)19-17-12-11-16(13-18-17)23(21,22)20(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,18,19)
InChIKeyIFMLFQSJTMTZGQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.42
Rot. Bonds7

About N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide

N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide (PubChem CID 5267715) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
PubChem CID5267715
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
SMILESCCc1ccc(Nc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-14-7-9-15(10-8-14)19-17-12-11-16(13-18-17)23(21,22)20(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,18,19)
InChIKeyIFMLFQSJTMTZGQ-UHFFFAOYSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
CID 5267788
N,N-diethyl-6-(4-fluoroanilino)pyridine-3-sulfonamide
CID 5267789
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267681
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267884
N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 24606064
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 42996124

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide (CID 5267715) is N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide is CCc1ccc(Nc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1.
What is the InChIKey of N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide?
The InChIKey is IFMLFQSJTMTZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-14-7-9-15(10-8-14)19-17-12-11-16(13-18-17)23(21,22)20(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide?
N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 5267715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).