N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide

C10H12Cl2N2O2S — CID 43597819

IUPACN-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-6(13)5-7/h1-3,6-7,14H,4-5,13H2
InChIKeyTVTMPRZPIMNWLC-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.76
Rot. Bonds3

About N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide

N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 43597819) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide
PubChem CID43597819
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC NameN-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-6(13)5-7/h1-3,6-7,14H,4-5,13H2
InChIKeyTVTMPRZPIMNWLC-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
N-(3-aminocyclobutyl)-2-methyl-3-nitrobenzenesulfonamide
CID 43597771
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-3-chlorobenzenesulfonamide
CID 120707749
N-(3-aminocyclobutyl)-5-chlorothiophene-2-sulfonamide
CID 43597846
N-(3-aminocyclobutyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43597678
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 24953157
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide
CID 119967663
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(3-aminocyclobutyl)-4-chloro-3-nitrobenzenesulfonamide
CID 43597673

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide (CID 43597819) is N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide is NC1CC(NS(=O)(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is TVTMPRZPIMNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-6(13)5-7/h1-3,6-7,14H,4-5,13H2.
What are the key properties of N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide?
N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 295.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 43597819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).