N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide

C12H15ClFNO2S — CID 114632190

IUPACN-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide
SMILESCC1(C)C(Cl)CC1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H15ClFNO2S/c1-12(2)10(13)7-11(12)15-18(16,17)9-5-3-4-8(14)6-9/h3-6,10-11,15H,7H2,1-2H3
InChIKeyVQVCBSBRZXRKGS-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.51
Rot. Bonds3

About N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide

N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide (PubChem CID 114632190) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide
PubChem CID114632190
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.78 g/mol
Exact Mass291.05
IUPAC NameN-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide
SMILESCC1(C)C(Cl)CC1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H15ClFNO2S/c1-12(2)10(13)7-11(12)15-18(16,17)9-5-3-4-8(14)6-9/h3-6,10-11,15H,7H2,1-2H3
InChIKeyVQVCBSBRZXRKGS-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
CID 70398433
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-fluorobenzenesulfonamide
CID 43602916
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide (CID 114632190) is N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide is CC1(C)C(Cl)CC1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide?
The InChIKey is VQVCBSBRZXRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c1-12(2)10(13)7-11(12)15-18(16,17)9-5-3-4-8(14)6-9/h3-6,10-11,15H,7H2,1-2H3.
What are the key properties of N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide?
N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide has a molecular weight of 291.78 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 114632190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).