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

C11H12FNO4S — CID 54945752

IUPAC2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S/c12-9-3-1-2-4-10(9)18(16,17)13(7-11(14)15)8-5-6-8/h1-4,8H,5-7H2,(H,14,15)
InChIKeySMIUOKPOWTZMGJ-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds5

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

2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid (PubChem CID 54945752) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
PubChem CID54945752
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S/c12-9-3-1-2-4-10(9)18(16,17)13(7-11(14)15)8-5-6-8/h1-4,8H,5-7H2,(H,14,15)
InChIKeySMIUOKPOWTZMGJ-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

N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
CID 103087535
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76911739
2-[cyclobutyl-(2-fluoro-6-methylphenyl)sulfonylamino]acetic acid
CID 136550997
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 61215504
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid (CID 54945752) is 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid?
The InChIKey is SMIUOKPOWTZMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-9-3-1-2-4-10(9)18(16,17)13(7-11(14)15)8-5-6-8/h1-4,8H,5-7H2,(H,14,15).
What are the key properties of 2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(2-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-(2-fluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 54945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).