4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide

C12H14N2O2S — CID 115672192

IUPAC4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C12H14N2O2S/c1-9-6-11(7-9)14-17(15,16)12-4-2-10(8-13)3-5-12/h2-5,9,11,14H,6-7H2,1H3
InChIKeyVHKQBHNZWRQRKI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.64
Rot. Bonds3

About 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide

4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 115672192) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID115672192
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C12H14N2O2S/c1-9-6-11(7-9)14-17(15,16)12-4-2-10(8-13)3-5-12/h2-5,9,11,14H,6-7H2,1H3
InChIKeyVHKQBHNZWRQRKI-UHFFFAOYSA-N
XLogP1.64
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 115602590

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide (CID 115672192) is 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is VHKQBHNZWRQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-6-11(7-9)14-17(15,16)12-4-2-10(8-13)3-5-12/h2-5,9,11,14H,6-7H2,1H3.
What are the key properties of 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide?
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 115672192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).