(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

C20H15ClN2O3S — CID 15956371

IUPAC(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O3S/c21-13-8-9-17-15(11-13)20(19(24)22-17)12-16(20)18-7-4-10-23(18)27(25,26)14-5-2-1-3-6-14/h1-11,16H,12H2,(H,22,24)/t16-,20-/m1/s1
InChIKeyPSSRUNSGLJEJRN-OXQOHEQNSA-N
MW398.87 g/mol
LogP3.76
Rot. Bonds3

About (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956371) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956371
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O3S/c21-13-8-9-17-15(11-13)20(19(24)22-17)12-16(20)18-7-4-10-23(18)27(25,26)14-5-2-1-3-6-14/h1-11,16H,12H2,(H,22,24)/t16-,20-/m1/s1
InChIKeyPSSRUNSGLJEJRN-OXQOHEQNSA-N
XLogP3.76
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one 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 (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956371) is (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is PSSRUNSGLJEJRN-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c21-13-8-9-17-15(11-13)20(19(24)22-17)12-16(20)18-7-4-10-23(18)27(25,26)14-5-2-1-3-6-14/h1-11,16H,12H2,(H,22,24)/t16-,20-/m1/s1.
What are the key properties of (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 398.87 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).