N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide

C8H10Cl2N2O3S — CID 136561823

IUPACN-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1nocc1S(=O)(=O)NC1CC(Cl)(Cl)C1
InChIInChI=1S/C8H10Cl2N2O3S/c1-5-7(4-15-11-5)16(13,14)12-6-2-8(9,10)3-6/h4,6,12H,2-3H2,1H3
InChIKeyQXIKRKGTNATKLF-UHFFFAOYSA-N
MW285.15 g/mol
LogP1.60
Rot. Bonds3

About N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide

N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 136561823) has the molecular formula C8H10Cl2N2O3S and a molecular weight of 285.15 g/mol. Its IUPAC name is N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide
PubChem CID136561823
Molecular FormulaC8H10Cl2N2O3S
Molecular Weight285.15 g/mol
Exact Mass283.98
IUPAC NameN-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1nocc1S(=O)(=O)NC1CC(Cl)(Cl)C1
InChIInChI=1S/C8H10Cl2N2O3S/c1-5-7(4-15-11-5)16(13,14)12-6-2-8(9,10)3-6/h4,6,12H,2-3H2,1H3
InChIKeyQXIKRKGTNATKLF-UHFFFAOYSA-N
XLogP1.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 138018139
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 5312196
2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 47002036
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
CID 82184304
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
N-(3,3-difluorocyclobutyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 165368782
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide
CID 166308862
N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide
CID 165368781

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide (CID 136561823) is N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide is Cc1nocc1S(=O)(=O)NC1CC(Cl)(Cl)C1.
What is the InChIKey of N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QXIKRKGTNATKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O3S/c1-5-7(4-15-11-5)16(13,14)12-6-2-8(9,10)3-6/h4,6,12H,2-3H2,1H3.
What are the key properties of N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide?
N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 285.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 136561823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).