1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid

C9H9FN2O4S — CID 103298837

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C9H9FN2O4S/c10-6-2-1-5-11-7(6)17(15,16)12-9(3-4-9)8(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyPBXVGXAWJZFJOS-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.12
Rot. Bonds4

About 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid

1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 103298837) has the molecular formula C9H9FN2O4S and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID103298837
Molecular FormulaC9H9FN2O4S
Molecular Weight260.25 g/mol
Exact Mass260.03
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C9H9FN2O4S/c10-6-2-1-5-11-7(6)17(15,16)12-9(3-4-9)8(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyPBXVGXAWJZFJOS-UHFFFAOYSA-N
XLogP0.12
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-sulfonamide
CID 103300487
1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 103302859
3-fluoro-N-(1-methylcyclobutyl)pyridine-2-sulfonamide
CID 103300453
N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 103308349
N-[1-(aminomethyl)cyclobutyl]-3-fluoropyridine-2-sulfonamide
CID 103308604
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 115578255
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 114115960

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid (CID 103298837) is 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is PBXVGXAWJZFJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4S/c10-6-2-1-5-11-7(6)17(15,16)12-9(3-4-9)8(13)14/h1-2,5,12H,3-4H2,(H,13,14).
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid?
1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103298837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).