[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone

C19H17ClN2O3S — CID 97417199

IUPAC[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN2O3S/c20-14-5-7-15(8-6-14)26(24,25)16-9-10-22(12-16)19(23)18-11-13-3-1-2-4-17(13)21-18/h1-8,11,16,21H,9-10,12H2/t16-/m0/s1
InChIKeyUMOUQWBKUOENQY-INIZCTEOSA-N
MW388.88 g/mol
LogP3.51
Rot. Bonds3

About [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone

[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 97417199) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID97417199
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN2O3S/c20-14-5-7-15(8-6-14)26(24,25)16-9-10-22(12-16)19(23)18-11-13-3-1-2-4-17(13)21-18/h1-8,11,16,21H,9-10,12H2/t16-/m0/s1
InChIKeyUMOUQWBKUOENQY-INIZCTEOSA-N
XLogP3.51
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 36723786
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 90587710
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97417197
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 90587776

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone (CID 97417199) is [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is UMOUQWBKUOENQY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c20-14-5-7-15(8-6-14)26(24,25)16-9-10-22(12-16)19(23)18-11-13-3-1-2-4-17(13)21-18/h1-8,11,16,21H,9-10,12H2/t16-/m0/s1.
What are the key properties of [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 388.88 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 97417199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).