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

C23H18FNO4S — CID 67524748

IUPACtrans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(NS(=O)(=O)c2ccc3c(c2)Cc2cc(F)ccc2-3)C[C@H]1c1ccccc1
InChIInChI=1S/C23H18FNO4S/c24-17-6-8-19-15(11-17)10-16-12-18(7-9-20(16)19)30(28,29)25-23(22(26)27)13-21(23)14-4-2-1-3-5-14/h1-9,11-12,21,25H,10,13H2,(H,26,27)/t21-,23+/m0/s1
InChIKeyGWSHMBACNVHYEJ-JTHBVZDNSA-N
MW423.47 g/mol
LogP3.69
Rot. Bonds5

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

trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 67524748) has the molecular formula C23H18FNO4S and a molecular weight of 423.47 g/mol. Its IUPAC name is trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID67524748
Molecular FormulaC23H18FNO4S
Molecular Weight423.47 g/mol
Exact Mass423.09
IUPAC Nametrans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(NS(=O)(=O)c2ccc3c(c2)Cc2cc(F)ccc2-3)C[C@H]1c1ccccc1
InChIInChI=1S/C23H18FNO4S/c24-17-6-8-19-15(11-17)10-16-12-18(7-9-20(16)19)30(28,29)25-23(22(26)27)13-21(23)14-4-2-1-3-5-14/h1-9,11-12,21,25H,10,13H2,(H,26,27)/t21-,23+/m0/s1
InChIKeyGWSHMBACNVHYEJ-JTHBVZDNSA-N
XLogP3.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 67524748) is trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@@]1(NS(=O)(=O)c2ccc3c(c2)Cc2cc(F)ccc2-3)C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is GWSHMBACNVHYEJ-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H18FNO4S/c24-17-6-8-19-15(11-17)10-16-12-18(7-9-20(16)19)30(28,29)25-23(22(26)27)13-21(23)14-4-2-1-3-5-14/h1-9,11-12,21,25H,10,13H2,(H,26,27)/t21-,23+/m0/s1.
What are the key properties of trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67524748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).