2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid

C12H13F2NO4S — CID 43341778

IUPAC2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F2NO4S/c1-12(11(16)17,7-2-3-7)15-20(18,19)10-5-4-8(13)6-9(10)14/h4-7,15H,2-3H2,1H3,(H,16,17)
InChIKeyFMCPPANFNWXAJD-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.50
Rot. Bonds5

About 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid

2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid (PubChem CID 43341778) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid
PubChem CID43341778
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F2NO4S/c1-12(11(16)17,7-2-3-7)15-20(18,19)10-5-4-8(13)6-9(10)14/h4-7,15H,2-3H2,1H3,(H,16,17)
InChIKeyFMCPPANFNWXAJD-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 116527308
2-cyclopropyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanoic acid
CID 43361659
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43172952
2-[(2-bromo-4-methylphenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361648
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
CID 43361649
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 43361631
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
CID 43163063
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid
CID 43361662
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid (CID 43341778) is 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccc(F)cc1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is FMCPPANFNWXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c1-12(11(16)17,7-2-3-7)15-20(18,19)10-5-4-8(13)6-9(10)14/h4-7,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid?
2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 305.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43341778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).