N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide

C13H19NO3S — CID 114631542

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C13H19NO3S/c1-9-6-4-5-7-10(9)18(16,17)14-11-8-12(15)13(11,2)3/h4-7,11-12,14-15H,8H2,1-3H3
InChIKeyZITKVHXUBLUPJR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.43
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide (PubChem CID 114631542) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
PubChem CID114631542
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C13H19NO3S/c1-9-6-4-5-7-10(9)18(16,17)14-11-8-12(15)13(11,2)3/h4-7,11-12,14-15H,8H2,1-3H3
InChIKeyZITKVHXUBLUPJR-UHFFFAOYSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,6-dimethylbenzenesulfonamide
CID 103171883
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
CID 114628511
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide (CID 114631542) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The InChIKey is ZITKVHXUBLUPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-6-4-5-7-10(9)18(16,17)14-11-8-12(15)13(11,2)3/h4-7,11-12,14-15H,8H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.43, 3 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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114631542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).