(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C25H22FNO4S — CID 69464425

IUPAC(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCC[C@@]1(c2ccccc2)CC1(NS(=O)(=O)c1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIInChI=1S/C25H22FNO4S/c1-2-24(18-6-4-3-5-7-18)15-25(24,23(28)29)27-32(30,31)20-9-11-22-17(14-20)12-16-13-19(26)8-10-21(16)22/h3-11,13-14,27H,2,12,15H2,1H3,(H,28,29)/t24-,25?/m0/s1
InChIKeyYNIXYHIOPWWPCG-SKCDSABHSA-N
MW451.52 g/mol
LogP4.25
Rot. Bonds6

About (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 69464425) has the molecular formula C25H22FNO4S and a molecular weight of 451.52 g/mol. Its IUPAC name is (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID69464425
Molecular FormulaC25H22FNO4S
Molecular Weight451.52 g/mol
Exact Mass451.13
IUPAC Name(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCC[C@@]1(c2ccccc2)CC1(NS(=O)(=O)c1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIInChI=1S/C25H22FNO4S/c1-2-24(18-6-4-3-5-7-18)15-25(24,23(28)29)27-32(30,31)20-9-11-22-17(14-20)12-16-13-19(26)8-10-21(16)22/h3-11,13-14,27H,2,12,15H2,1H3,(H,28,29)/t24-,25?/m0/s1
InChIKeyYNIXYHIOPWWPCG-SKCDSABHSA-N
XLogP4.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 69464425) is (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is CC[C@@]1(c2ccccc2)CC1(NS(=O)(=O)c1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O.
What is the InChIKey of (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is YNIXYHIOPWWPCG-SKCDSABHSA-N. The full InChI is InChI=1S/C25H22FNO4S/c1-2-24(18-6-4-3-5-7-18)15-25(24,23(28)29)27-32(30,31)20-9-11-22-17(14-20)12-16-13-19(26)8-10-21(16)22/h3-11,13-14,27H,2,12,15H2,1H3,(H,28,29)/t24-,25?/m0/s1.
What are the key properties of (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 451.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 69464425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).