N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide

C17H16N2O3S2 — CID 2812777

IUPACN-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H16N2O3S2/c20-15(13-6-2-1-3-7-13)12-19-24(21,22)17-10-9-16(23-17)14-8-4-5-11-18-14/h1-11,15,19-20H,12H2
InChIKeyZXSGNRLGJHGJSM-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.82
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide

N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 2812777) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID2812777
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H16N2O3S2/c20-15(13-6-2-1-3-7-13)12-19-24(21,22)17-10-9-16(23-17)14-8-4-5-11-18-14/h1-11,15,19-20H,12H2
InChIKeyZXSGNRLGJHGJSM-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide (CID 2812777) is N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide is O=S(=O)(NCC(O)c1ccccc1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is ZXSGNRLGJHGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c20-15(13-6-2-1-3-7-13)12-19-24(21,22)17-10-9-16(23-17)14-8-4-5-11-18-14/h1-11,15,19-20H,12H2.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide?
N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 360.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2812777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).