1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]

C20H22FNO2S — CID 170540676

IUPAC1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]
SMILESCc1ccc(CS(=O)(=O)N2CC3(CCCC3)c3ccccc32)c(F)c1
InChIInChI=1S/C20H22FNO2S/c1-15-8-9-16(18(21)12-15)13-25(23,24)22-14-20(10-4-5-11-20)17-6-2-3-7-19(17)22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyCWTIPMBLBNWDLB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.30
Rot. Bonds3

About 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]

1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane] (PubChem CID 170540676) has the molecular formula C20H22FNO2S and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane].

Molecular Properties

Compound Name1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]
PubChem CID170540676
Molecular FormulaC20H22FNO2S
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]
SMILESCc1ccc(CS(=O)(=O)N2CC3(CCCC3)c3ccccc32)c(F)c1
InChIInChI=1S/C20H22FNO2S/c1-15-8-9-16(18(21)12-15)13-25(23,24)22-14-20(10-4-5-11-20)17-6-2-3-7-19(17)22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyCWTIPMBLBNWDLB-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane] with MolForge

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Related Compounds

4-fluoro-2-methyl-5-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylbenzoic acid
CID 126780461
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
CID 174158811
1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540780
1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540811
1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]
CID 97400065
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
CID 75514639
1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]
CID 18004971
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]?
The IUPAC name of 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane] (CID 170540676) is 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane].
What is the SMILES notation for 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]?
The canonical SMILES for 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane] is Cc1ccc(CS(=O)(=O)N2CC3(CCCC3)c3ccccc32)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]?
The InChIKey is CWTIPMBLBNWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2S/c1-15-8-9-16(18(21)12-15)13-25(23,24)22-14-20(10-4-5-11-20)17-6-2-3-7-19(17)22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]?
1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane] has a molecular weight of 359.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane] is sourced from PubChem (CID 170540676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).