4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline

C15H17N3O2S — CID 43577800

IUPAC4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C15H17N3O2S/c16-13-3-5-14(6-4-13)21(19,20)18-11-1-2-15(18)12-7-9-17-10-8-12/h3-10,15H,1-2,11,16H2
InChIKeyOFNCSJJKJVIJNV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.19
Rot. Bonds3

About 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline

4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 43577800) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
PubChem CID43577800
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C15H17N3O2S/c16-13-3-5-14(6-4-13)21(19,20)18-11-1-2-15(18)12-7-9-17-10-8-12/h3-10,15H,1-2,11,16H2
InChIKeyOFNCSJJKJVIJNV-UHFFFAOYSA-N
XLogP2.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110871668
2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 94025265
4-[1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 47021589
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline (CID 43577800) is 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCC2c2ccncc2)cc1.
What is the InChIKey of 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is OFNCSJJKJVIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-13-3-5-14(6-4-13)21(19,20)18-11-1-2-15(18)12-7-9-17-10-8-12/h3-10,15H,1-2,11,16H2.
What are the key properties of 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline?
4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 303.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43577800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).