[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone

C19H18N2O3S — CID 90586727

IUPAC[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H18N2O3S/c22-19(15-6-7-18-14(12-15)8-10-20-18)21-11-9-17(13-21)25(23,24)16-4-2-1-3-5-16/h1-8,10,12,17,20H,9,11,13H2
InChIKeyQFOUOZVRZCAQMK-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.86
Rot. Bonds3

About [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone

[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 90586727) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID90586727
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H18N2O3S/c22-19(15-6-7-18-14(12-15)8-10-20-18)21-11-9-17(13-21)25(23,24)16-4-2-1-3-5-16/h1-8,10,12,17,20H,9,11,13H2
InChIKeyQFOUOZVRZCAQMK-UHFFFAOYSA-N
XLogP2.86
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 129373846
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
[4-[3-(benzenesulfonyl)pyrrolidine-1-carbonyl]phenyl] acetate
CID 90586799
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 97417199
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 90586698
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (CID 90586727) is [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is QFOUOZVRZCAQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-19(15-6-7-18-14(12-15)8-10-20-18)21-11-9-17(13-21)25(23,24)16-4-2-1-3-5-16/h1-8,10,12,17,20H,9,11,13H2.
What are the key properties of [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 354.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 90586727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).