N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide

C12H14N2O3S2 — CID 71782466

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cccnc1)c1cccs1
InChIInChI=1S/C12H14N2O3S2/c1-12(15,11-5-3-7-18-11)9-14-19(16,17)10-4-2-6-13-8-10/h2-8,14-15H,9H2,1H3
InChIKeyQNJJFFUULBRXBR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.33
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide (PubChem CID 71782466) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
PubChem CID71782466
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cccnc1)c1cccs1
InChIInChI=1S/C12H14N2O3S2/c1-12(15,11-5-3-7-18-11)9-14-19(16,17)10-4-2-6-13-8-10/h2-8,14-15H,9H2,1H3
InChIKeyQNJJFFUULBRXBR-UHFFFAOYSA-N
XLogP1.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 90523077
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
CID 97258053
4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
CID 90500244
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 97355211
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide (CID 71782466) is N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide is CC(O)(CNS(=O)(=O)c1cccnc1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is QNJJFFUULBRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-12(15,11-5-3-7-18-11)9-14-19(16,17)10-4-2-6-13-8-10/h2-8,14-15H,9H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 71782466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).