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

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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).