N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide

C20H19N3O2S — CID 113028143

IUPACN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCc3ccccc3C2)cn1)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c24-26(25,19-8-2-1-3-9-19)22-20-11-10-18(14-21-20)23-13-12-16-6-4-5-7-17(16)15-23/h1-11,14H,12-13,15H2,(H,21,22)
InChIKeyPXXCPZKDMNAIBG-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.45
Rot. Bonds4

About N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide

N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113028143) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113028143
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCc3ccccc3C2)cn1)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c24-26(25,19-8-2-1-3-9-19)22-20-11-10-18(14-21-20)23-13-12-16-6-4-5-7-17(16)15-23/h1-11,14H,12-13,15H2,(H,21,22)
InChIKeyPXXCPZKDMNAIBG-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028146
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113028160
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026209
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]benzenesulfonamide
CID 112983361
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]benzenesulfonamide
CID 16890212
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113042471
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028102
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzenesulfonamide
CID 113025354

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide (CID 113028143) is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCc3ccccc3C2)cn1)c1ccccc1.
What is the InChIKey of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PXXCPZKDMNAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-26(25,19-8-2-1-3-9-19)22-20-11-10-18(14-21-20)23-13-12-16-6-4-5-7-17(16)15-23/h1-11,14H,12-13,15H2,(H,21,22).
What are the key properties of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide?
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113028143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).