2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid

C11H11ClFNO4S — CID 62695010

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C11H11ClFNO4S/c12-8-5-7(13)3-4-9(8)19(17,18)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyZZHYCJDEHFOZNO-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.62
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid

2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid (PubChem CID 62695010) has the molecular formula C11H11ClFNO4S and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
PubChem CID62695010
Molecular FormulaC11H11ClFNO4S
Molecular Weight307.73 g/mol
Exact Mass307.01
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C11H11ClFNO4S/c12-8-5-7(13)3-4-9(8)19(17,18)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyZZHYCJDEHFOZNO-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
CID 62695582
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide
CID 105400186
2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695961
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62697684
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
2-[(2-chloro-5-fluorophenyl)methylamino]-2-cyclopropylacetic acid
CID 102616831
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 62695399
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid (CID 62695010) is 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid is O=C(O)C(NS(=O)(=O)c1ccc(F)cc1Cl)C1CC1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid?
The InChIKey is ZZHYCJDEHFOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4S/c12-8-5-7(13)3-4-9(8)19(17,18)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid?
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid has a molecular weight of 307.73 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).