N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine

C17H20Cl2N2O3S — CID 55827224

IUPACN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
SMILESCN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C17H20Cl2N2O3S/c1-20(11-13-8-14(18)10-15(19)9-13)12-16-4-5-17(24-16)25(22,23)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7,11-12H2,1H3
InChIKeyBHRNPYNMIUYPGN-UHFFFAOYSA-N
MW403.33 g/mol
LogP4.00
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine

N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine (PubChem CID 55827224) has the molecular formula C17H20Cl2N2O3S and a molecular weight of 403.33 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
PubChem CID55827224
Molecular FormulaC17H20Cl2N2O3S
Molecular Weight403.33 g/mol
Exact Mass402.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
SMILESCN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C17H20Cl2N2O3S/c1-20(11-13-8-14(18)10-15(19)9-13)12-16-4-5-17(24-16)25(22,23)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7,11-12H2,1H3
InChIKeyBHRNPYNMIUYPGN-UHFFFAOYSA-N
XLogP4.00
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
CID 47053734
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
CID 55838430
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 47038783
2-(3,5-dimethylphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine
CID 86952087
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632364
N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632155

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine (CID 55827224) is N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine is CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine?
The InChIKey is BHRNPYNMIUYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3S/c1-20(11-13-8-14(18)10-15(19)9-13)12-16-4-5-17(24-16)25(22,23)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7,11-12H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine?
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine has a molecular weight of 403.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine is sourced from PubChem (CID 55827224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).