2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid

C11H12FNO4S — CID 54946257

IUPAC2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H12FNO4S/c12-8-2-1-3-10(6-8)18(16,17)13(7-11(14)15)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15)
InChIKeyBJCPAILCMNLIMD-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds5

About 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid

2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid (PubChem CID 54946257) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
PubChem CID54946257
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H12FNO4S/c12-8-2-1-3-10(6-8)18(16,17)13(7-11(14)15)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15)
InChIKeyBJCPAILCMNLIMD-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
CID 60829160
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid (CID 54946257) is 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid?
The InChIKey is BJCPAILCMNLIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-8-2-1-3-10(6-8)18(16,17)13(7-11(14)15)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15).
What are the key properties of 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid has a molecular weight of 273.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 54946257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).