N-pyridin-1-ium-1-ylthiophene-2-sulfonamide

C9H9N2O2S2+ — CID 175479061

IUPACN-pyridin-1-ium-1-ylthiophene-2-sulfonamide
SMILESO=S(=O)(N[n+]1ccccc1)c1cccs1
InChIInChI=1S/C9H9N2O2S2/c12-15(13,9-5-4-8-14-9)10-11-6-2-1-3-7-11/h1-8,10H/q+1
InChIKeyBGFBXAISMVFQSS-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.97
Rot. Bonds3

About N-pyridin-1-ium-1-ylthiophene-2-sulfonamide

N-pyridin-1-ium-1-ylthiophene-2-sulfonamide (PubChem CID 175479061) has the molecular formula C9H9N2O2S2+ and a molecular weight of 241.32 g/mol. Its IUPAC name is N-pyridin-1-ium-1-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-pyridin-1-ium-1-ylthiophene-2-sulfonamide
PubChem CID175479061
Molecular FormulaC9H9N2O2S2+
Molecular Weight241.32 g/mol
Exact Mass241.01
IUPAC NameN-pyridin-1-ium-1-ylthiophene-2-sulfonamide
SMILESO=S(=O)(N[n+]1ccccc1)c1cccs1
InChIInChI=1S/C9H9N2O2S2/c12-15(13,9-5-4-8-14-9)10-11-6-2-1-3-7-11/h1-8,10H/q+1
InChIKeyBGFBXAISMVFQSS-UHFFFAOYSA-N
XLogP0.97
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-fluorothiophene-2-sulfonamide
CID 175398216
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid
CID 166265728
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
S-(thiophen-2-ylsulfonylamino) methanethioate
CID 23443454
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152

Frequently Asked Questions

What is the IUPAC name of N-pyridin-1-ium-1-ylthiophene-2-sulfonamide?
The IUPAC name of N-pyridin-1-ium-1-ylthiophene-2-sulfonamide (CID 175479061) is N-pyridin-1-ium-1-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-pyridin-1-ium-1-ylthiophene-2-sulfonamide?
The canonical SMILES for N-pyridin-1-ium-1-ylthiophene-2-sulfonamide is O=S(=O)(N[n+]1ccccc1)c1cccs1.
What is the InChIKey of N-pyridin-1-ium-1-ylthiophene-2-sulfonamide?
The InChIKey is BGFBXAISMVFQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O2S2/c12-15(13,9-5-4-8-14-9)10-11-6-2-1-3-7-11/h1-8,10H/q+1.
What are the key properties of N-pyridin-1-ium-1-ylthiophene-2-sulfonamide?
N-pyridin-1-ium-1-ylthiophene-2-sulfonamide has a molecular weight of 241.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-1-ium-1-ylthiophene-2-sulfonamide is sourced from PubChem (CID 175479061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).