N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide

C14H21NO4S — CID 114631537

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H21NO4S/c1-9-5-6-10(19-4)11(7-9)20(17,18)15-12-8-13(16)14(12,2)3/h5-7,12-13,15-16H,8H2,1-4H3
InChIKeyMIHDMANHWCNFJF-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.44
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 114631537) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID114631537
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H21NO4S/c1-9-5-6-10(19-4)11(7-9)20(17,18)15-12-8-13(16)14(12,2)3/h5-7,12-13,15-16H,8H2,1-4H3
InChIKeyMIHDMANHWCNFJF-UHFFFAOYSA-N
XLogP1.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide
CID 114631523
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 166389073
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
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
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide (CID 114631537) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is MIHDMANHWCNFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-9-5-6-10(19-4)11(7-9)20(17,18)15-12-8-13(16)14(12,2)3/h5-7,12-13,15-16H,8H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 114631537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).