4-cyano-N-cyclobutylbenzenesulfonamide

C11H12N2O2S — CID 25047960

IUPAC4-cyano-N-cyclobutylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCC2)cc1
InChIInChI=1S/C11H12N2O2S/c12-8-9-4-6-11(7-5-9)16(14,15)13-10-2-1-3-10/h4-7,10,13H,1-3H2
InChIKeyLQHBIUSMPXGPTG-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.39
Rot. Bonds3

About 4-cyano-N-cyclobutylbenzenesulfonamide

4-cyano-N-cyclobutylbenzenesulfonamide (PubChem CID 25047960) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-cyano-N-cyclobutylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclobutylbenzenesulfonamide
PubChem CID25047960
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-cyano-N-cyclobutylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCC2)cc1
InChIInChI=1S/C11H12N2O2S/c12-8-9-4-6-11(7-5-9)16(14,15)13-10-2-1-3-10/h4-7,10,13H,1-3H2
InChIKeyLQHBIUSMPXGPTG-UHFFFAOYSA-N
XLogP1.39
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide
CID 86869061
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclobutylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclobutylbenzenesulfonamide (CID 25047960) is 4-cyano-N-cyclobutylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclobutylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclobutylbenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCC2)cc1.
What is the InChIKey of 4-cyano-N-cyclobutylbenzenesulfonamide?
The InChIKey is LQHBIUSMPXGPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c12-8-9-4-6-11(7-5-9)16(14,15)13-10-2-1-3-10/h4-7,10,13H,1-3H2.
What are the key properties of 4-cyano-N-cyclobutylbenzenesulfonamide?
4-cyano-N-cyclobutylbenzenesulfonamide has a molecular weight of 236.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclobutylbenzenesulfonamide is sourced from PubChem (CID 25047960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).