N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide

C15H15N3O2S — CID 60814463

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C#CCN)n2)c1
InChIInChI=1S/C15H15N3O2S/c1-12-5-2-8-14(11-12)21(19,20)18-15-9-3-6-13(17-15)7-4-10-16/h2-3,5-6,8-9,11H,10,16H2,1H3,(H,17,18)
InChIKeyQDOKVCFWFCMBLN-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.50
Rot. Bonds3

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 60814463) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID60814463
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C#CCN)n2)c1
InChIInChI=1S/C15H15N3O2S/c1-12-5-2-8-14(11-12)21(19,20)18-15-9-3-6-13(17-15)7-4-10-16/h2-3,5-6,8-9,11H,10,16H2,1H3,(H,17,18)
InChIKeyQDOKVCFWFCMBLN-UHFFFAOYSA-N
XLogP1.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
CID 60814632
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide
CID 63856620
6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263728
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-5-methylbenzamide
CID 81315693
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
4-(3-aminoprop-1-ynyl)-3-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62903611
ethyl 2-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]acetate
CID 61457398
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-methylbenzenesulfonamide
CID 69069110
2-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 60843814
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 60814463) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(C#CCN)n2)c1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is QDOKVCFWFCMBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-12-5-2-8-14(11-12)21(19,20)18-15-9-3-6-13(17-15)7-4-10-16/h2-3,5-6,8-9,11H,10,16H2,1H3,(H,17,18).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 60814463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).