N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide

C10H12F2N2O2S — CID 43597821

IUPACN-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C10H12F2N2O2S/c11-6-1-7(12)3-10(2-6)17(15,16)14-9-4-8(13)5-9/h1-3,8-9,14H,4-5,13H2
InChIKeyILOXNKJNTOEFOE-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.73
Rot. Bonds3

About N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide

N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide (PubChem CID 43597821) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
PubChem CID43597821
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC NameN-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C10H12F2N2O2S/c11-6-1-7(12)3-10(2-6)17(15,16)14-9-4-8(13)5-9/h1-3,8-9,14H,4-5,13H2
InChIKeyILOXNKJNTOEFOE-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138031784
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-(3-aminocyclobutyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43597679
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
CID 107843583
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide
CID 43597890
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
CID 63321949

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide (CID 43597821) is N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide is NC1CC(NS(=O)(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is ILOXNKJNTOEFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-6-1-7(12)3-10(2-6)17(15,16)14-9-4-8(13)5-9/h1-3,8-9,14H,4-5,13H2.
What are the key properties of N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide?
N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 262.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 43597821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).