6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide

C15H19N3O3S — CID 5267681

IUPAC6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C15H19N3O3S/c1-4-21-13-7-5-12(6-8-13)17-15-10-9-14(11-16-15)22(19,20)18(2)3/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyQSDRIYPAHFAXDN-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.47
Rot. Bonds6

About 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide

6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 5267681) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID5267681
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C15H19N3O3S/c1-4-21-13-7-5-12(6-8-13)17-15-10-9-14(11-16-15)22(19,20)18(2)3/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyQSDRIYPAHFAXDN-UHFFFAOYSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide
CID 25465799
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267682
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
CID 5267715
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
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide (CID 5267681) is 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide is CCOc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1.
What is the InChIKey of 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is QSDRIYPAHFAXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-21-13-7-5-12(6-8-13)17-15-10-9-14(11-16-15)22(19,20)18(2)3/h5-11H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 5267681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).