6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide

C16H21N3O3S — CID 25465799

IUPAC6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C16H21N3O3S/c1-4-22-14-7-5-13(6-8-14)18-16-10-9-15(11-17-16)23(20,21)19-12(2)3/h5-12,19H,4H2,1-3H3,(H,17,18)
InChIKeyMHMKUWLNNIFRGR-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.91
Rot. Bonds7

About 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide

6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 25465799) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID25465799
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C16H21N3O3S/c1-4-22-14-7-5-13(6-8-14)18-16-10-9-15(11-17-16)23(20,21)19-12(2)3/h5-12,19H,4H2,1-3H3,(H,17,18)
InChIKeyMHMKUWLNNIFRGR-UHFFFAOYSA-N
XLogP2.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267681
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide (CID 25465799) is 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide is CCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1.
What is the InChIKey of 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is MHMKUWLNNIFRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-22-14-7-5-13(6-8-14)18-16-10-9-15(11-17-16)23(20,21)19-12(2)3/h5-12,19H,4H2,1-3H3,(H,17,18).
What are the key properties of 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide?
6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 25465799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).