4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide

C12H14N2O2S — CID 115650712

IUPAC4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2S/c1-14(11-3-2-4-11)17(15,16)12-7-5-10(9-13)6-8-12/h5-8,11H,2-4H2,1H3
InChIKeyXFMDSTZMIOWDOD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.73
Rot. Bonds3

About 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide

4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide (PubChem CID 115650712) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
PubChem CID115650712
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2S/c1-14(11-3-2-4-11)17(15,16)12-7-5-10(9-13)6-8-12/h5-8,11H,2-4H2,1H3
InChIKeyXFMDSTZMIOWDOD-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61449550
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
N-(azepan-4-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 107173032
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide (CID 115650712) is 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide is CN(C1CCC1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide?
The InChIKey is XFMDSTZMIOWDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14(11-3-2-4-11)17(15,16)12-7-5-10(9-13)6-8-12/h5-8,11H,2-4H2,1H3.
What are the key properties of 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide?
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 115650712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).