[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone

C21H19ClN2O3S — CID 90587710

IUPAC[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCC(S(=O)(=O)c4ccc(Cl)cc4)C3)c2n1
InChIInChI=1S/C21H19ClN2O3S/c1-14-5-6-15-3-2-4-19(20(15)23-14)21(25)24-12-11-18(13-24)28(26,27)17-9-7-16(22)8-10-17/h2-10,18H,11-13H2,1H3
InChIKeyQENBXCNTCHKNBV-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.89
Rot. Bonds3

About [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone

[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone (PubChem CID 90587710) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
PubChem CID90587710
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCC(S(=O)(=O)c4ccc(Cl)cc4)C3)c2n1
InChIInChI=1S/C21H19ClN2O3S/c1-14-5-6-15-3-2-4-19(20(15)23-14)21(25)24-12-11-18(13-24)28(26,27)17-9-7-16(22)8-10-17/h2-10,18H,11-13H2,1H3
InChIKeyQENBXCNTCHKNBV-UHFFFAOYSA-N
XLogP3.89
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 97417199
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97417197
(2-bromo-5-methoxyphenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 90587636
3-[3-(benzenesulfonyl)pyrrolidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90584924
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 90587776
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90586770
(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150011

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone (CID 90587710) is [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone is Cc1ccc2cccc(C(=O)N3CCC(S(=O)(=O)c4ccc(Cl)cc4)C3)c2n1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The InChIKey is QENBXCNTCHKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-5-6-15-3-2-4-19(20(15)23-14)21(25)24-12-11-18(13-24)28(26,27)17-9-7-16(22)8-10-17/h2-10,18H,11-13H2,1H3.
What are the key properties of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone?
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone has a molecular weight of 414.91 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone is sourced from PubChem (CID 90587710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).