N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide

C13H14N2O3S — CID 68898056

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccccn1
InChIInChI=1S/C13H14N2O3S/c16-10-12-6-4-11(5-7-12)9-15-19(17,18)13-3-1-2-8-14-13/h1-8,15-16H,9-10H2
InChIKeyRIRJXMUXXLKJGO-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.05
Rot. Bonds5

About N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide

N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide (PubChem CID 68898056) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
PubChem CID68898056
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccccn1
InChIInChI=1S/C13H14N2O3S/c16-10-12-6-4-11(5-7-12)9-15-19(17,18)13-3-1-2-8-14-13/h1-8,15-16H,9-10H2
InChIKeyRIRJXMUXXLKJGO-UHFFFAOYSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide (CID 68898056) is N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide is O=S(=O)(NCc1ccc(CO)cc1)c1ccccn1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
The InChIKey is RIRJXMUXXLKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-10-12-6-4-11(5-7-12)9-15-19(17,18)13-3-1-2-8-14-13/h1-8,15-16H,9-10H2.
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide?
N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 68898056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).