2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide

C14H13N3O3S — CID 106546169

IUPAC2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC(O)c1ccccc1
InChIInChI=1S/C14H13N3O3S/c15-9-12-14(7-4-8-16-12)21(19,20)17-10-13(18)11-5-2-1-3-6-11/h1-8,13,17-18H,10H2
InChIKeyXPAAXXYWOYFJFA-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.97
Rot. Bonds5

About 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide

2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide (PubChem CID 106546169) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
PubChem CID106546169
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC(O)c1ccccc1
InChIInChI=1S/C14H13N3O3S/c15-9-12-14(7-4-8-16-12)21(19,20)17-10-13(18)11-5-2-1-3-6-11/h1-8,13,17-18H,10H2
InChIKeyXPAAXXYWOYFJFA-UHFFFAOYSA-N
XLogP0.97
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide (CID 106546169) is 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCC(O)c1ccccc1.
What is the InChIKey of 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide?
The InChIKey is XPAAXXYWOYFJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c15-9-12-14(7-4-8-16-12)21(19,20)17-10-13(18)11-5-2-1-3-6-11/h1-8,13,17-18H,10H2.
What are the key properties of 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide?
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).