N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide

C20H17N3O2S — CID 86694389

IUPACN-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(N)nc1C#Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-23(26(24,25)17-10-6-3-7-11-17)19-14-15-20(21)22-18(19)13-12-16-8-4-2-5-9-16/h2-11,14-15H,1H3,(H2,21,22)
InChIKeyWIFSEUWTZNRHSQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.89
Rot. Bonds3

About N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide

N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 86694389) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide
PubChem CID86694389
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(N)nc1C#Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-23(26(24,25)17-10-6-3-7-11-17)19-14-15-20(21)22-18(19)13-12-16-8-4-2-5-9-16/h2-11,14-15H,1H3,(H2,21,22)
InChIKeyWIFSEUWTZNRHSQ-UHFFFAOYSA-N
XLogP2.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 115274544
N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 95046460
4-(3-aminoprop-1-ynyl)-N-methyl-N-phenylbenzenesulfonamide
CID 60844614
4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
CID 34207194
N-[2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704115
3-(benzenesulfonyl)-6-(2-phenylethynyl)pyridazine
CID 11232442
N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 70828971
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-N-methylbenzenesulfonamide
CID 142017251
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide
CID 23206345
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide (CID 86694389) is N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide is CN(c1ccc(N)nc1C#Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
The InChIKey is WIFSEUWTZNRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-23(26(24,25)17-10-6-3-7-11-17)19-14-15-20(21)22-18(19)13-12-16-8-4-2-5-9-16/h2-11,14-15H,1H3,(H2,21,22).
What are the key properties of N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-2-(2-phenylethynyl)-3-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 86694389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).