[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide

C20H21FN2O3S — CID 166205291

IUPAC[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1
InChIInChI=1S/C20H21FN2O3S/c21-16-4-3-5-17-18(16)20(10-1-2-11-20)13-23(17)19(24)15-8-6-14(7-9-15)12-27(22,25)26/h3-9H,1-2,10-13H2,(H2,22,25,26)
InChIKeySUDDYJKRBNUAFF-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.09
Rot. Bonds3

About [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide

[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 166205291) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide
PubChem CID166205291
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1
InChIInChI=1S/C20H21FN2O3S/c21-16-4-3-5-17-18(16)20(10-1-2-11-20)13-23(17)19(24)15-8-6-14(7-9-15)12-27(22,25)26/h3-9H,1-2,10-13H2,(H2,22,25,26)
InChIKeySUDDYJKRBNUAFF-UHFFFAOYSA-N
XLogP3.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide (CID 166205291) is [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1.
What is the InChIKey of [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is SUDDYJKRBNUAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-16-4-3-5-17-18(16)20(10-1-2-11-20)13-23(17)19(24)15-8-6-14(7-9-15)12-27(22,25)26/h3-9H,1-2,10-13H2,(H2,22,25,26).
What are the key properties of [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide?
[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 166205291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).