N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide

C13H15N3O4S — CID 62963451

IUPACN-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O4S/c14-8-10-5-3-6-12(10)15-21(19,20)9-11-4-1-2-7-13(11)16(17)18/h1-2,4,7,10,12,15H,3,5-6,9H2
InChIKeyJUAUDNWIGUXEOG-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.71
Rot. Bonds5

About N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide

N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 62963451) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID62963451
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O4S/c14-8-10-5-3-6-12(10)15-21(19,20)9-11-4-1-2-7-13(11)16(17)18/h1-2,4,7,10,12,15H,3,5-6,9H2
InChIKeyJUAUDNWIGUXEOG-UHFFFAOYSA-N
XLogP1.71
TPSA113.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 66185393
N-(2-cyanoethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 55102339
N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75484910
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
2-(2-nitrophenyl)sulfinylcyclopentane-1-carbonitrile
CID 64690910
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
N-(1,3-dihydroxypropan-2-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 65314292
N-(2-amino-1-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 65188663
N-[(1-aminocyclobutyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 103352843
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
2-methyl-2-[(2-nitrophenyl)methylsulfonylamino]propanoic acid
CID 62022787

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide (CID 62963451) is N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide is N#CC1CCCC1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is JUAUDNWIGUXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-8-10-5-3-6-12(10)15-21(19,20)9-11-4-1-2-7-13(11)16(17)18/h1-2,4,7,10,12,15H,3,5-6,9H2.
What are the key properties of N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 62963451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).