N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide

C17H16N2O3S2 — CID 121134221

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C17H16N2O3S2/c20-17(13-5-2-1-3-6-13)16-9-8-14(23-16)11-19-24(21,22)15-7-4-10-18-12-15/h1-10,12,17,19-20H,11H2
InChIKeyZZLFIGKLNQBYBE-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.70
Rot. Bonds6

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide (PubChem CID 121134221) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide
PubChem CID121134221
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C17H16N2O3S2/c20-17(13-5-2-1-3-6-13)16-9-8-14(23-16)11-19-24(21,22)15-7-4-10-18-12-15/h1-10,12,17,19-20H,11H2
InChIKeyZZLFIGKLNQBYBE-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide (CID 121134221) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccccc2)s1)c1cccnc1.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is ZZLFIGKLNQBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c20-17(13-5-2-1-3-6-13)16-9-8-14(23-16)11-19-24(21,22)15-7-4-10-18-12-15/h1-10,12,17,19-20H,11H2.
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 360.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 121134221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).