methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate

C23H23F2NO5S2 — CID 118146629

IUPACmethyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1F)C1(CCS(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23F2NO5S2/c1-31-22(27)17-8-9-18-19(20(17)25)23(10-12-32(28)13-11-23)21(14-2-3-14)26(18)33(29,30)16-6-4-15(24)5-7-16/h4-9,14,21H,2-3,10-13H2,1H3
InChIKeyHQDQERGWFBQXED-UHFFFAOYSA-N
MW495.57 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate

methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate (PubChem CID 118146629) has the molecular formula C23H23F2NO5S2 and a molecular weight of 495.57 g/mol. Its IUPAC name is methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate
PubChem CID118146629
Molecular FormulaC23H23F2NO5S2
Molecular Weight495.57 g/mol
Exact Mass495.10
IUPAC Namemethyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1F)C1(CCS(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23F2NO5S2/c1-31-22(27)17-8-9-18-19(20(17)25)23(10-12-32(28)13-11-23)21(14-2-3-14)26(18)33(29,30)16-6-4-15(24)5-7-16/h4-9,14,21H,2-3,10-13H2,1H3
InChIKeyHQDQERGWFBQXED-UHFFFAOYSA-N
XLogP3.52
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-imino-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylic acid
CID 118146663
(2R)-1'-acetyl-4-chloro-2-cyclopropyl-N-(2-fluorophenyl)-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179253
methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfinylspiro[2H-indole-3,4'-thiane]-5-carboxylate
CID 144774836
2-cyclopropyl-N-[[2-(difluoromethyl)phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-imino-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxamide
CID 154467164
2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-imino-1'-oxo-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-indole-3,4'-thiane]-5-carboxamide
CID 118146634
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-imino-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxamide
CID 118146664
N-(cyclopentylmethyl)-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-thiane]-5-carboxamide
CID 142721559
2-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-4'-hydroxy-4'-(trifluoromethyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxamide
CID 118112879
(2R)-5-bromo-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-thiane] 1',1'-dioxide
CID 118877180
1'-acetyl-N-(3-chlorophenyl)-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179166
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-yl]cyclohexanecarboxamide
CID 71666835
2-cyclopropyl-1-(3-methoxycarbonylphenyl)sulfonylspiro[2H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 118113067

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate (CID 118146629) is methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate is COC(=O)c1ccc2c(c1F)C1(CCS(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate?
The InChIKey is HQDQERGWFBQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO5S2/c1-31-22(27)17-8-9-18-19(20(17)25)23(10-12-32(28)13-11-23)21(14-2-3-14)26(18)33(29,30)16-6-4-15(24)5-7-16/h4-9,14,21H,2-3,10-13H2,1H3.
What are the key properties of methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate?
methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate has a molecular weight of 495.57 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate is sourced from PubChem (CID 118146629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).