N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide

C13H19NO2S — CID 113090928

IUPACN-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C13H19NO2S/c1-2-17(15,16)14-11-13(9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3
InChIKeyRBJHDLXSFCEKDD-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.05
Rot. Bonds5

About N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide

N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide (PubChem CID 113090928) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
PubChem CID113090928
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C13H19NO2S/c1-2-17(15,16)14-11-13(9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3
InChIKeyRBJHDLXSFCEKDD-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
CID 51111664
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
2-methyl-6-nitro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
CID 55904016
5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide
CID 47027496
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide (CID 113090928) is N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide?
The InChIKey is RBJHDLXSFCEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-17(15,16)14-11-13(9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3.
What are the key properties of N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide?
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide is sourced from PubChem (CID 113090928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).