N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide

C12H14N2O2S — CID 75483859

IUPACN-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide
SMILESCN(C1(C#N)CCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O2S/c1-14(12(10-13)8-5-9-12)17(15,16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyFHFHENPOVSRJLJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.75
Rot. Bonds3

About N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide

N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide (PubChem CID 75483859) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide
PubChem CID75483859
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide
SMILESCN(C1(C#N)CCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O2S/c1-14(12(10-13)8-5-9-12)17(15,16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyFHFHENPOVSRJLJ-UHFFFAOYSA-N
XLogP1.75
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide (CID 75483859) is N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide is CN(C1(C#N)CCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide?
The InChIKey is FHFHENPOVSRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14(12(10-13)8-5-9-12)17(15,16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide?
N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 75483859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).