N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide

C12H15NO3S — CID 43161158

IUPACN-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C12H15NO3S/c1-17(15,16)13-11-7-5-10(6-8-11)12(14)9-3-2-4-9/h5-9,13H,2-4H2,1H3
InChIKeyZDMCLWYIYAYFOT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.04
Rot. Bonds4

About N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide

N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide (PubChem CID 43161158) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
PubChem CID43161158
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C12H15NO3S/c1-17(15,16)13-11-7-5-10(6-8-11)12(14)9-3-2-4-9/h5-9,13H,2-4H2,1H3
InChIKeyZDMCLWYIYAYFOT-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
cyclobutyl-(4-methylsulfonylphenyl)methanone
CID 82497049
N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
CID 64867866
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-(4-cyclobutylphenyl)methanesulfonamide
CID 170179821
N-[4-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130060

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide (CID 43161158) is N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1.
What is the InChIKey of N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide?
The InChIKey is ZDMCLWYIYAYFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-17(15,16)13-11-7-5-10(6-8-11)12(14)9-3-2-4-9/h5-9,13H,2-4H2,1H3.
What are the key properties of N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide?
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 43161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).