4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline

C17H19N3O2S — CID 19605526

IUPAC4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline
SMILESC=Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc(N2CCCC2)n1
InChIInChI=1S/C17H19N3O2S/c1-2-14-11-16(12-17(19-14)20-9-3-4-10-20)23(21,22)15-7-5-13(18)6-8-15/h2,5-8,11-12H,1,3-4,9-10,18H2
InChIKeyWRLXFBBQMOJTMH-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.74
Rot. Bonds4

About 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline

4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline (PubChem CID 19605526) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline.

Molecular Properties

Compound Name4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline
PubChem CID19605526
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline
SMILESC=Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc(N2CCCC2)n1
InChIInChI=1S/C17H19N3O2S/c1-2-14-11-16(12-17(19-14)20-9-3-4-10-20)23(21,22)15-7-5-13(18)6-8-15/h2,5-8,11-12H,1,3-4,9-10,18H2
InChIKeyWRLXFBBQMOJTMH-UHFFFAOYSA-N
XLogP2.74
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-fluorophenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline
CID 19605475
4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline
CID 19605460
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-ethenyl-2-methoxy-6-piperidin-1-ylpyrimidine
CID 15869495
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
CID 171542202
4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
CID 134105336
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 137449340
4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
CID 144988154
4-amino-N-[2-(azetidin-1-yl)-6-chloropyrimidin-4-yl]benzenesulfonamide
CID 10807034
4-(4-aminophenyl)sulfonylaniline;4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
CID 88770219

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline?
The IUPAC name of 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline (CID 19605526) is 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline.
What is the SMILES notation for 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline?
The canonical SMILES for 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline is C=Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc(N2CCCC2)n1.
What is the InChIKey of 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline?
The InChIKey is WRLXFBBQMOJTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-14-11-16(12-17(19-14)20-9-3-4-10-20)23(21,22)15-7-5-13(18)6-8-15/h2,5-8,11-12H,1,3-4,9-10,18H2.
What are the key properties of 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline?
4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline has a molecular weight of 329.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline is sourced from PubChem (CID 19605526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).