N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide

C14H21NO5S — CID 114631523

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C14H21NO5S/c1-14(2)12(8-13(14)16)15-21(17,18)11-7-9(19-3)5-6-10(11)20-4/h5-7,12-13,15-16H,8H2,1-4H3
InChIKeyAFZCNFWOTDWZIA-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.14
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 114631523) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID114631523
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C14H21NO5S/c1-14(2)12(8-13(14)16)15-21(17,18)11-7-9(19-3)5-6-10(11)20-4/h5-7,12-13,15-16H,8H2,1-4H3
InChIKeyAFZCNFWOTDWZIA-UHFFFAOYSA-N
XLogP1.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide (CID 114631523) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CC(O)C2(C)C)c1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is AFZCNFWOTDWZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-14(2)12(8-13(14)16)15-21(17,18)11-7-9(19-3)5-6-10(11)20-4/h5-7,12-13,15-16H,8H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 114631523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).