N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide

C18H20Cl2N2O3S — CID 56513402

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-8-7-13(10-17(16)20)12-26(23,24)22-11-14-4-3-9-21-18(14)25-15-5-1-2-6-15/h3-4,7-10,15,22H,1-2,5-6,11-12H2
InChIKeyXNZXJRCHEJMKGF-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.33
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 56513402) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID56513402
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-8-7-13(10-17(16)20)12-26(23,24)22-11-14-4-3-9-21-18(14)25-15-5-1-2-6-15/h3-4,7-10,15,22H,1-2,5-6,11-12H2
InChIKeyXNZXJRCHEJMKGF-UHFFFAOYSA-N
XLogP4.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide (CID 56513402) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is XNZXJRCHEJMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c19-16-8-7-13(10-17(16)20)12-26(23,24)22-11-14-4-3-9-21-18(14)25-15-5-1-2-6-15/h3-4,7-10,15,22H,1-2,5-6,11-12H2.
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide has a molecular weight of 415.34 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 56513402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).