cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid

C18H18FNO7S — CID 70218691

IUPACcis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C18H18FNO7S/c19-11-1-3-12(4-2-11)27-13-5-7-14(8-6-13)28(25,26)20-18(17(23)24)9-15(21)16(22)10-18/h1-8,15-16,20-22H,9-10H2,(H,23,24)/t15-,16+,18?
InChIKeyYZFZPJDPHKJLCR-BYICEURKSA-N
MW411.41 g/mol
LogP1.24
Rot. Bonds6

About cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid

cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid (PubChem CID 70218691) has the molecular formula C18H18FNO7S and a molecular weight of 411.41 g/mol. Its IUPAC name is cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid
PubChem CID70218691
Molecular FormulaC18H18FNO7S
Molecular Weight411.41 g/mol
Exact Mass411.08
IUPAC Namecis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C18H18FNO7S/c19-11-1-3-12(4-2-11)27-13-5-7-14(8-6-13)28(25,26)20-18(17(23)24)9-15(21)16(22)10-18/h1-8,15-16,20-22H,9-10H2,(H,23,24)/t15-,16+,18?
InChIKeyYZFZPJDPHKJLCR-BYICEURKSA-N
XLogP1.24
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid (CID 70218691) is cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid?
The InChIKey is YZFZPJDPHKJLCR-BYICEURKSA-N. The full InChI is InChI=1S/C18H18FNO7S/c19-11-1-3-12(4-2-11)27-13-5-7-14(8-6-13)28(25,26)20-18(17(23)24)9-15(21)16(22)10-18/h1-8,15-16,20-22H,9-10H2,(H,23,24)/t15-,16+,18?.
What are the key properties of cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid?
cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid has a molecular weight of 411.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 70218691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).