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

C22H23N3O3S — CID 19605460

IUPAC4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline
SMILESCOc1ccccc1-c1cc(S(=O)(=O)c2ccc(N)cc2)cc(N2CCCC2)n1
InChIInChI=1S/C22H23N3O3S/c1-28-21-7-3-2-6-19(21)20-14-18(15-22(24-20)25-12-4-5-13-25)29(26,27)17-10-8-16(23)9-11-17/h2-3,6-11,14-15H,4-5,12-13,23H2,1H3
InChIKeyQVXAZQISIYTVHB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.77
Rot. Bonds5

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

4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline (PubChem CID 19605460) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline
PubChem CID19605460
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline
SMILESCOc1ccccc1-c1cc(S(=O)(=O)c2ccc(N)cc2)cc(N2CCCC2)n1
InChIInChI=1S/C22H23N3O3S/c1-28-21-7-3-2-6-19(21)20-14-18(15-22(24-20)25-12-4-5-13-25)29(26,27)17-10-8-16(23)9-11-17/h2-3,6-11,14-15H,4-5,12-13,23H2,1H3
InChIKeyQVXAZQISIYTVHB-UHFFFAOYSA-N
XLogP3.77
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethenyl-6-pyrrolidin-1-yl-4-pyridinyl)sulfonyl]aniline
CID 19605526
4-(2-methoxyphenyl)sulfonylaniline
CID 10801498
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380251
5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazole
CID 1316588
4-N-[6-(2-methoxyphenyl)-2-methylpyrimidin-4-yl]benzene-1,4-diamine
CID 68917912
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazole
CID 18890569
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 20873580
4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 134149174

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline?
The IUPAC name of 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline (CID 19605460) is 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline is COc1ccccc1-c1cc(S(=O)(=O)c2ccc(N)cc2)cc(N2CCCC2)n1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline?
The InChIKey is QVXAZQISIYTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-28-21-7-3-2-6-19(21)20-14-18(15-22(24-20)25-12-4-5-13-25)29(26,27)17-10-8-16(23)9-11-17/h2-3,6-11,14-15H,4-5,12-13,23H2,1H3.
What are the key properties of 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline?
4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline has a molecular weight of 409.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-4-pyridinyl]sulfonyl]aniline is sourced from PubChem (CID 19605460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).