(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid

C8H9N3O4S — CID 114959594

IUPAC(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid
SMILESNS(=O)(=O)Nc1cccc(/C=C/C(=O)O)n1
InChIInChI=1S/C8H9N3O4S/c9-16(14,15)11-7-3-1-2-6(10-7)4-5-8(12)13/h1-5H,(H,10,11)(H,12,13)(H2,9,14,15)/b5-4+
InChIKeyZIRYNNKICQYAPO-SNAWJCMRSA-N
MW243.24 g/mol
LogP-0.21
Rot. Bonds4

About (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid

(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid (PubChem CID 114959594) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid
PubChem CID114959594
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid
SMILESNS(=O)(=O)Nc1cccc(/C=C/C(=O)O)n1
InChIInChI=1S/C8H9N3O4S/c9-16(14,15)11-7-3-1-2-6(10-7)4-5-8(12)13/h1-5H,(H,10,11)(H,12,13)(H2,9,14,15)/b5-4+
InChIKeyZIRYNNKICQYAPO-SNAWJCMRSA-N
XLogP-0.21
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[6-(difluoromethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 54971386
3-[6-(1-cyanoethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 77072873
3-[6-(2,2-dimethylpropylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 77045165
3-[6-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76906299
3-[6-(1H-imidazol-5-ylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 77021340
(E)-3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 114816709
3-[6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]prop-2-enoic acid
CID 77021109
(E)-3-[6-[(2-methoxyacetyl)amino]-2-pyridinyl]prop-2-enoic acid
CID 94230843
6-(2-carboxyethenyl)pyridine-2-carboxylic acid
CID 169460531
3-[6-(dimethylcarbamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 79153991
3-[6-(oxolan-2-ylmethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76988941
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid (CID 114959594) is (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid is NS(=O)(=O)Nc1cccc(/C=C/C(=O)O)n1.
What is the InChIKey of (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is ZIRYNNKICQYAPO-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H9N3O4S/c9-16(14,15)11-7-3-1-2-6(10-7)4-5-8(12)13/h1-5H,(H,10,11)(H,12,13)(H2,9,14,15)/b5-4+.
What are the key properties of (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid?
(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 243.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 114959594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).