N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide

C14H12N2O3S — CID 60814918

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C#CCO)c1cccnc1
InChIInChI=1S/C14H12N2O3S/c17-10-4-6-12-5-1-2-8-14(12)16-20(18,19)13-7-3-9-15-11-13/h1-3,5,7-9,11,16-17H,10H2
InChIKeyVKRNVKOUDFTBBL-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.23
Rot. Bonds3

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide (PubChem CID 60814918) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
PubChem CID60814918
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C#CCO)c1cccnc1
InChIInChI=1S/C14H12N2O3S/c17-10-4-6-12-5-1-2-8-14(12)16-20(18,19)13-7-3-9-15-11-13/h1-3,5,7-9,11,16-17H,10H2
InChIKeyVKRNVKOUDFTBBL-UHFFFAOYSA-N
XLogP1.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.23
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-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 60813404
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide
CID 81279894
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide
CID 60815124
3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
CID 60823189
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232619
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
4-(2-methylphenyl)-N-[2-(2-pyridin-3-ylethynyl)phenyl]benzenesulfonamide
CID 175843270
5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 61454327
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide (CID 60814918) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccccc1C#CCO)c1cccnc1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is VKRNVKOUDFTBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-10-4-6-12-5-1-2-8-14(12)16-20(18,19)13-7-3-9-15-11-13/h1-3,5,7-9,11,16-17H,10H2.
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 60814918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).