(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

C23H25FN2O3S — CID 166192011

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C23H25FN2O3S/c24-19-9-6-10-20-21(19)23(11-1-2-12-23)16-26(20)22(27)17-7-5-8-18(15-17)30(28,29)25-13-3-4-14-25/h5-10,15H,1-4,11-14,16H2
InChIKeySHDVINILPDAXAB-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.08
Rot. Bonds3

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 166192011) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID166192011
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C23H25FN2O3S/c24-19-9-6-10-20-21(19)23(11-1-2-12-23)16-26(20)22(27)17-7-5-8-18(15-17)30(28,29)25-13-3-4-14-25/h5-10,15H,1-4,11-14,16H2
InChIKeySHDVINILPDAXAB-UHFFFAOYSA-N
XLogP4.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 167493963
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119765168
CID 167493928
CID 167493928
[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide
CID 166205291
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 166233205
(2-fluorophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 8764400
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
CID 167493484
CID 167493484
6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one
CID 167950585

Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 166192011) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is SHDVINILPDAXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c24-19-9-6-10-20-21(19)23(11-1-2-12-23)16-26(20)22(27)17-7-5-8-18(15-17)30(28,29)25-13-3-4-14-25/h5-10,15H,1-4,11-14,16H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 428.53 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 166192011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).