2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid

C14H15F2NO4S — CID 166283599

IUPAC2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cccc(C3CC3(F)F)c2)CC1
InChIInChI=1S/C14H15F2NO4S/c15-14(16)7-11(14)9-2-1-3-10(6-9)22(20,21)17-13(4-5-13)8-12(18)19/h1-3,6,11,17H,4-5,7-8H2,(H,18,19)
InChIKeyPSXAGLYBUDWPOH-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.09
Rot. Bonds6

About 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid

2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid (PubChem CID 166283599) has the molecular formula C14H15F2NO4S and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid
PubChem CID166283599
Molecular FormulaC14H15F2NO4S
Molecular Weight331.34 g/mol
Exact Mass331.07
IUPAC Name2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cccc(C3CC3(F)F)c2)CC1
InChIInChI=1S/C14H15F2NO4S/c15-14(16)7-11(14)9-2-1-3-10(6-9)22(20,21)17-13(4-5-13)8-12(18)19/h1-3,6,11,17H,4-5,7-8H2,(H,18,19)
InChIKeyPSXAGLYBUDWPOH-UHFFFAOYSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
2-[3-[[3-(difluoromethyl)phenyl]sulfonylamino]oxolan-3-yl]acetic acid
CID 138000547
2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid
CID 166239334
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844844
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
2-[1-[(2-cyano-3-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844849

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid (CID 166283599) is 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2cccc(C3CC3(F)F)c2)CC1.
What is the InChIKey of 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid?
The InChIKey is PSXAGLYBUDWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4S/c15-14(16)7-11(14)9-2-1-3-10(6-9)22(20,21)17-13(4-5-13)8-12(18)19/h1-3,6,11,17H,4-5,7-8H2,(H,18,19).
What are the key properties of 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid?
2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid has a molecular weight of 331.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid is sourced from PubChem (CID 166283599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).