(3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide

C24H21F2N3O4S — CID 170593206

IUPAC(3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@H]1CN(C2OC2[C@H]2Cc3cc(-c4ccccn4)c(F)cc3O2)c2cc(S(N)(=O)=O)c(F)cc21
InChIInChI=1S/C24H21F2N3O4S/c1-12-11-29(19-10-22(34(27,30)31)17(26)8-14(12)19)24-23(33-24)21-7-13-6-15(16(25)9-20(13)32-21)18-4-2-3-5-28-18/h2-6,8-10,12,21,23-24H,7,11H2,1H3,(H2,27,30,31)/t12-,21+,23?,24?/m0/s1
InChIKeyDEKYIRKEKWOFEP-QHUBISBWSA-N
MW485.51 g/mol
LogP3.33
Rot. Bonds4

About (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide

(3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593206) has the molecular formula C24H21F2N3O4S and a molecular weight of 485.51 g/mol. Its IUPAC name is (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name(3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID170593206
Molecular FormulaC24H21F2N3O4S
Molecular Weight485.51 g/mol
Exact Mass485.12
IUPAC Name(3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@H]1CN(C2OC2[C@H]2Cc3cc(-c4ccccn4)c(F)cc3O2)c2cc(S(N)(=O)=O)c(F)cc21
InChIInChI=1S/C24H21F2N3O4S/c1-12-11-29(19-10-22(34(27,30)31)17(26)8-14(12)19)24-23(33-24)21-7-13-6-15(16(25)9-20(13)32-21)18-4-2-3-5-28-18/h2-6,8-10,12,21,23-24H,7,11H2,1H3,(H2,27,30,31)/t12-,21+,23?,24?/m0/s1
InChIKeyDEKYIRKEKWOFEP-QHUBISBWSA-N
XLogP3.33
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide 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 (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide (CID 170593206) is (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide is C[C@H]1CN(C2OC2[C@H]2Cc3cc(-c4ccccn4)c(F)cc3O2)c2cc(S(N)(=O)=O)c(F)cc21.
What is the InChIKey of (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is DEKYIRKEKWOFEP-QHUBISBWSA-N. The full InChI is InChI=1S/C24H21F2N3O4S/c1-12-11-29(19-10-22(34(27,30)31)17(26)8-14(12)19)24-23(33-24)21-7-13-6-15(16(25)9-20(13)32-21)18-4-2-3-5-28-18/h2-6,8-10,12,21,23-24H,7,11H2,1H3,(H2,27,30,31)/t12-,21+,23?,24?/m0/s1.
What are the key properties of (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
(3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 485.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-1-[3-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]oxiran-2-yl]-3-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).