5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline

C14H15ClN2O2S — CID 104774152

IUPAC5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCC(Cl)C2)c2cccnc12
InChIInChI=1S/C14H15ClN2O2S/c1-10-4-5-13(12-3-2-7-16-14(10)12)20(18,19)17-8-6-11(15)9-17/h2-5,7,11H,6,8-9H2,1H3
InChIKeyUXDJOCMYDFEYRE-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.55
Rot. Bonds2

About 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline

5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline (PubChem CID 104774152) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline.

Molecular Properties

Compound Name5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
PubChem CID104774152
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCC(Cl)C2)c2cccnc12
InChIInChI=1S/C14H15ClN2O2S/c1-10-4-5-13(12-3-2-7-16-14(10)12)20(18,19)17-8-6-11(15)9-17/h2-5,7,11H,6,8-9H2,1H3
InChIKeyUXDJOCMYDFEYRE-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine
CID 104773970
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
5-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]-1H-pyrazol-4-amine
CID 167964581
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992673
N,N-diethyl-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55544877
3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol
CID 104774002
(3R,9aS)-3-methyl-2-(8-methylquinolin-5-yl)sulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124840984
1-(azepan-1-yl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 55560037
(3S,9aS)-3-methyl-2-(8-methylquinolin-5-yl)sulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97214451
N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55558830

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline?
The IUPAC name of 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline (CID 104774152) is 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline.
What is the SMILES notation for 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline?
The canonical SMILES for 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline is Cc1ccc(S(=O)(=O)N2CCC(Cl)C2)c2cccnc12.
What is the InChIKey of 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline?
The InChIKey is UXDJOCMYDFEYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-4-5-13(12-3-2-7-16-14(10)12)20(18,19)17-8-6-11(15)9-17/h2-5,7,11H,6,8-9H2,1H3.
What are the key properties of 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline?
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline has a molecular weight of 310.81 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline is sourced from PubChem (CID 104774152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).