N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine

C20H20ClN3O2S — CID 50806744

IUPACN-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
SMILESO=S(=O)(c1ccc2nc(NCc3ccccc3Cl)ccc2c1)N1CCCC1
InChIInChI=1S/C20H20ClN3O2S/c21-18-6-2-1-5-16(18)14-22-20-10-7-15-13-17(8-9-19(15)23-20)27(25,26)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12,14H2,(H,22,23)
InChIKeyPMLNYMRNIBZNPV-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.28
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine

N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine (PubChem CID 50806744) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
PubChem CID50806744
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
SMILESO=S(=O)(c1ccc2nc(NCc3ccccc3Cl)ccc2c1)N1CCCC1
InChIInChI=1S/C20H20ClN3O2S/c21-18-6-2-1-5-16(18)14-22-20-10-7-15-13-17(8-9-19(15)23-20)27(25,26)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12,14H2,(H,22,23)
InChIKeyPMLNYMRNIBZNPV-UHFFFAOYSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759706
N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283400
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9281567
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759655
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
CID 62143884
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283426
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine (CID 50806744) is N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine is O=S(=O)(c1ccc2nc(NCc3ccccc3Cl)ccc2c1)N1CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The InChIKey is PMLNYMRNIBZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c21-18-6-2-1-5-16(18)14-22-20-10-7-15-13-17(8-9-19(15)23-20)27(25,26)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12,14H2,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine has a molecular weight of 401.92 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 50806744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).