3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid

C15H21NO6S — CID 166389073

IUPAC3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CC(O)C1(C)C
InChIInChI=1S/C15H21NO6S/c1-9-5-6-10(22-4)11(7-9)23(20,21)16-15(13(18)19)8-12(17)14(15,2)3/h5-7,12,16-17H,8H2,1-4H3,(H,18,19)
InChIKeyRVBXLJNMZYVYJO-UHFFFAOYSA-N
MW343.40 g/mol
LogP0.90
Rot. Bonds5

About 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid

3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 166389073) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID166389073
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CC(O)C1(C)C
InChIInChI=1S/C15H21NO6S/c1-9-5-6-10(22-4)11(7-9)23(20,21)16-15(13(18)19)8-12(17)14(15,2)3/h5-7,12,16-17H,8H2,1-4H3,(H,18,19)
InChIKeyRVBXLJNMZYVYJO-UHFFFAOYSA-N
XLogP0.90
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888666
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
N-cyclohexyl-N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052998
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 166389073) is 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid is COc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CC(O)C1(C)C.
What is the InChIKey of 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is RVBXLJNMZYVYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-9-5-6-10(22-4)11(7-9)23(20,21)16-15(13(18)19)8-12(17)14(15,2)3/h5-7,12,16-17H,8H2,1-4H3,(H,18,19).
What are the key properties of 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid?
3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 343.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 166389073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).