N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine

C18H22ClNO3S — CID 55828003

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine
SMILESO=S(=O)(CCN(Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3S/c19-15-7-9-18(10-8-15)24(21,22)13-11-20(16-4-1-2-5-16)14-17-6-3-12-23-17/h3,6-10,12,16H,1-2,4-5,11,13-14H2
InChIKeyBXDUYNORNYQDKD-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine

N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine (PubChem CID 55828003) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine
PubChem CID55828003
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine
SMILESO=S(=O)(CCN(Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3S/c19-15-7-9-18(10-8-15)24(21,22)13-11-20(16-4-1-2-5-16)14-17-6-3-12-23-17/h3,6-10,12,16H,1-2,4-5,11,13-14H2
InChIKeyBXDUYNORNYQDKD-UHFFFAOYSA-N
XLogP4.15
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
CID 62644896
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide
CID 20937330
4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23794326
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine (CID 55828003) is N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine is O=S(=O)(CCN(Cc1ccco1)C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine?
The InChIKey is BXDUYNORNYQDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c19-15-7-9-18(10-8-15)24(21,22)13-11-20(16-4-1-2-5-16)14-17-6-3-12-23-17/h3,6-10,12,16H,1-2,4-5,11,13-14H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine?
N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine has a molecular weight of 367.90 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 55828003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).