2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid

C12H14FNO4S — CID 62695582

IUPAC2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO4S/c1-7-2-5-9(13)6-10(7)19(17,18)14-11(12(15)16)8-3-4-8/h2,5-6,8,11,14H,3-4H2,1H3,(H,15,16)
InChIKeyLBRIIHAMRSTWFB-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.28
Rot. Bonds5

About 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid

2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid (PubChem CID 62695582) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
PubChem CID62695582
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO4S/c1-7-2-5-9(13)6-10(7)19(17,18)14-11(12(15)16)8-3-4-8/h2,5-6,8,11,14H,3-4H2,1H3,(H,15,16)
InChIKeyLBRIIHAMRSTWFB-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695961
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
(2S)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173809
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61141616
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
N-(2-bromo-2-cyclopropylethyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113271162
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62697684
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid (CID 62695582) is 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid is Cc1ccc(F)cc1S(=O)(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is LBRIIHAMRSTWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-7-2-5-9(13)6-10(7)19(17,18)14-11(12(15)16)8-3-4-8/h2,5-6,8,11,14H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid?
2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 287.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 62695582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).