N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide

C20H21N3O2S — CID 113029860

IUPACN-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCCc2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-11-5-2-6-12-19)23-20-14-13-18(16-22-20)21-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16,21H,7,10,15H2,(H,22,23)
InChIKeyGKRMXWDLNRZEDD-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.93
Rot. Bonds8

About N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide

N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113029860) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113029860
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCCc2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-11-5-2-6-12-19)23-20-14-13-18(16-22-20)21-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16,21H,7,10,15H2,(H,22,23)
InChIKeyGKRMXWDLNRZEDD-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]benzenesulfonamide
CID 113025678
methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
CID 113029848
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide (CID 113029860) is N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCCc2ccccc2)cn1)c1ccccc1.
What is the InChIKey of N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is GKRMXWDLNRZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,19-11-5-2-6-12-19)23-20-14-13-18(16-22-20)21-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16,21H,7,10,15H2,(H,22,23).
What are the key properties of N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide?
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113029860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).