4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride

C19H29Cl2N3O2S — CID 69243399

IUPAC4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride
SMILESCCCNCCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1.Cl.Cl
InChIInChI=1S/C19H27N3O2S.2ClH/c1-4-12-20-13-11-17-7-8-18(14-21-17)22-25(23,24)19-9-5-16(6-10-19)15(2)3;;/h5-10,14-15,20,22H,4,11-13H2,1-3H3;2*1H
InChIKeyWTKBOQICDSLXGR-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.39
Rot. Bonds9

About 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride

4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride (PubChem CID 69243399) has the molecular formula C19H29Cl2N3O2S and a molecular weight of 434.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride
PubChem CID69243399
Molecular FormulaC19H29Cl2N3O2S
Molecular Weight434.43 g/mol
Exact Mass433.14
IUPAC Name4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride
SMILESCCCNCCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1.Cl.Cl
InChIInChI=1S/C19H27N3O2S.2ClH/c1-4-12-20-13-11-17-7-8-18(14-21-17)22-25(23,24)19-9-5-16(6-10-19)15(2)3;;/h5-10,14-15,20,22H,4,11-13H2,1-3H3;2*1H
InChIKeyWTKBOQICDSLXGR-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.39
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-[2-[4-[(4-propan-2-ylphenyl)sulfonylmethyl]phenyl]ethyl]propan-1-amine;hydrochloride
CID 69241138
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 66720161
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69242109
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 11676519
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 67419833
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 141290503
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride (CID 69243399) is 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride is CCCNCCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1.Cl.Cl.
What is the InChIKey of 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride?
The InChIKey is WTKBOQICDSLXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.2ClH/c1-4-12-20-13-11-17-7-8-18(14-21-17)22-25(23,24)19-9-5-16(6-10-19)15(2)3;;/h5-10,14-15,20,22H,4,11-13H2,1-3H3;2*1H.
What are the key properties of 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride?
4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride has a molecular weight of 434.43 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 69243399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).