N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide

C15H14N2O3S — CID 102821632

IUPACN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C15H14N2O3S/c18-10-4-7-13-8-9-16-15(11-13)17-21(19,20)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,18H,10,12H2,(H,16,17)
InChIKeyFSSBTWPMEOGURO-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.37
Rot. Bonds4

About N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide (PubChem CID 102821632) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
PubChem CID102821632
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C15H14N2O3S/c18-10-4-7-13-8-9-16-15(11-13)17-21(19,20)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,18H,10,12H2,(H,16,17)
InChIKeyFSSBTWPMEOGURO-UHFFFAOYSA-N
XLogP1.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide (CID 102821632) is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cc(C#CCO)ccn1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide?
The InChIKey is FSSBTWPMEOGURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-10-4-7-13-8-9-16-15(11-13)17-21(19,20)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,18H,10,12H2,(H,16,17).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide?
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 102821632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).