N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide

C13H16N2O3S — CID 115606497

IUPACN-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H16N2O3S/c14-9-10-18-12-7-5-11(6-8-12)15-19(16,17)13-3-1-2-4-13/h5-8,13,15H,1-4,10H2
InChIKeyOQECOHADFBBFJV-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.27
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide

N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide (PubChem CID 115606497) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
PubChem CID115606497
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H16N2O3S/c14-9-10-18-12-7-5-11(6-8-12)15-19(16,17)13-3-1-2-4-13/h5-8,13,15H,1-4,10H2
InChIKeyOQECOHADFBBFJV-UHFFFAOYSA-N
XLogP2.27
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047896
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
2-[4-[(2-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43203268
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide (CID 115606497) is N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide is N#CCOc1ccc(NS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide?
The InChIKey is OQECOHADFBBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-9-10-18-12-7-5-11(6-8-12)15-19(16,17)13-3-1-2-4-13/h5-8,13,15H,1-4,10H2.
What are the key properties of N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide?
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 115606497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).