1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

C10H11FN2O4S — CID 113312114

IUPAC1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C10H11FN2O4S/c11-7-3-8(5-12-4-7)18(16,17)13-6-10(1-2-10)9(14)15/h3-5,13H,1-2,6H2,(H,14,15)
InChIKeyJDCIFRFIJQBYHI-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.36
Rot. Bonds5

About 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312114) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312114
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C10H11FN2O4S/c11-7-3-8(5-12-4-7)18(16,17)13-6-10(1-2-10)9(14)15/h3-5,13H,1-2,6H2,(H,14,15)
InChIKeyJDCIFRFIJQBYHI-UHFFFAOYSA-N
XLogP0.36
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-sulfonamide
CID 115754017
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
1-[[(3-fluoro-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450133
4-[[(3-fluorophenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
CID 115438559
5-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-3-sulfonamide
CID 113431326
1-[[[4-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 166274267
2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
CID 138041125
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
CID 62664626
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid (CID 113312114) is 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2cncc(F)c2)CC1.
What is the InChIKey of 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JDCIFRFIJQBYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c11-7-3-8(5-12-4-7)18(16,17)13-6-10(1-2-10)9(14)15/h3-5,13H,1-2,6H2,(H,14,15).
What are the key properties of 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).