N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide

C14H16N2O3S2 — CID 97416934

IUPACN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCSc1ccc([C@@H](O)CNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-20-12-6-4-11(5-7-12)14(17)10-16-21(18,19)13-3-2-8-15-9-13/h2-9,14,16-17H,10H2,1H3/t14-/m0/s1
InChIKeyVBOOEPHNRBXGLM-AWEZNQCLSA-N
MW324.43 g/mol
LogP1.82
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 97416934) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID97416934
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCSc1ccc([C@@H](O)CNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-20-12-6-4-11(5-7-12)14(17)10-16-21(18,19)13-3-2-8-15-9-13/h2-9,14,16-17H,10H2,1H3/t14-/m0/s1
InChIKeyVBOOEPHNRBXGLM-AWEZNQCLSA-N
XLogP1.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide (CID 97416934) is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide is CSc1ccc([C@@H](O)CNS(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is VBOOEPHNRBXGLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-20-12-6-4-11(5-7-12)14(17)10-16-21(18,19)13-3-2-8-15-9-13/h2-9,14,16-17H,10H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide?
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97416934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).