N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide

C15H23NO3S — CID 114631600

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-10(2)11-5-7-12(8-6-11)20(18,19)16-13-9-14(17)15(13,3)4/h5-8,10,13-14,16-17H,9H2,1-4H3
InChIKeyDLMWDBFTDMGAEQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.25
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 114631600) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID114631600
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-10(2)11-5-7-12(8-6-11)20(18,19)16-13-9-14(17)15(13,3)4/h5-8,10,13-14,16-17H,9H2,1-4H3
InChIKeyDLMWDBFTDMGAEQ-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 114631487
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114631670
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-2-sulfonamide
CID 114631535
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114628940

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide (CID 114631600) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC2CC(O)C2(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DLMWDBFTDMGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10(2)11-5-7-12(8-6-11)20(18,19)16-13-9-14(17)15(13,3)4/h5-8,10,13-14,16-17H,9H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114631600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).