cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C19H15ClN2O4S2 — CID 59692315

IUPACcis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)nc3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H15ClN2O4S2/c20-16-8-6-13(11-21-16)15-7-9-17(27-15)28(25,26)22-19(18(23)24)10-14(19)12-4-2-1-3-5-12/h1-9,11,14,22H,10H2,(H,23,24)/t14-,19-/m0/s1
InChIKeyRYGAAOJYRIKRGU-LIRRHRJNSA-N
MW434.93 g/mol
LogP3.75
Rot. Bonds6

About cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 59692315) has the molecular formula C19H15ClN2O4S2 and a molecular weight of 434.93 g/mol. Its IUPAC name is cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID59692315
Molecular FormulaC19H15ClN2O4S2
Molecular Weight434.93 g/mol
Exact Mass434.02
IUPAC Namecis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)nc3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H15ClN2O4S2/c20-16-8-6-13(11-21-16)15-7-9-17(27-15)28(25,26)22-19(18(23)24)10-14(19)12-4-2-1-3-5-12/h1-9,11,14,22H,10H2,(H,23,24)/t14-,19-/m0/s1
InChIKeyRYGAAOJYRIKRGU-LIRRHRJNSA-N
XLogP3.75
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 59692315) is cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)nc3)s2)C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is RYGAAOJYRIKRGU-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H15ClN2O4S2/c20-16-8-6-13(11-21-16)15-7-9-17(27-15)28(25,26)22-19(18(23)24)10-14(19)12-4-2-1-3-5-12/h1-9,11,14,22H,10H2,(H,23,24)/t14-,19-/m0/s1.
What are the key properties of cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 434.93 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-[[5-(6-chloro-3-pyridinyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).