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

C18H20Cl2N2O3S — CID 56582075

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-6-5-14(9-17(16)20)12-26(23,24)22-11-13-7-8-21-18(10-13)25-15-3-1-2-4-15/h5-10,15,22H,1-4,11-12H2
InChIKeyGDZBFBJJDRTZLG-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.33
Rot. Bonds7

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

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 56582075) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID56582075
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-6-5-14(9-17(16)20)12-26(23,24)22-11-13-7-8-21-18(10-13)25-15-3-1-2-4-15/h5-10,15,22H,1-4,11-12H2
InChIKeyGDZBFBJJDRTZLG-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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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513402
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide
CID 49240371
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide
CID 11539651
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821587
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
3-[(2-chlorophenyl)sulfamoyl]-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]benzamide
CID 55658702

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide (CID 56582075) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is GDZBFBJJDRTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c19-16-6-5-14(9-17(16)20)12-26(23,24)22-11-13-7-8-21-18(10-13)25-15-3-1-2-4-15/h5-10,15,22H,1-4,11-12H2.
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
N-[(2-cyclopentyloxy-4-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-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 56582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).