[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid

C15H24BNO6S — CID 91759370

IUPAC[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid
SMILESCOc1ccc(B(O)O)cc1S(=O)(=O)NCC1CCC(OC)CC1
InChIInChI=1S/C15H24BNO6S/c1-22-13-6-3-11(4-7-13)10-17-24(20,21)15-9-12(16(18)19)5-8-14(15)23-2/h5,8-9,11,13,17-19H,3-4,6-7,10H2,1-2H3
InChIKeyOIZCBXVOCRVGCF-UHFFFAOYSA-N
MW357.24 g/mol
LogP-0.14
Rot. Bonds7

About [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid

[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid (PubChem CID 91759370) has the molecular formula C15H24BNO6S and a molecular weight of 357.24 g/mol. Its IUPAC name is [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid
PubChem CID91759370
Molecular FormulaC15H24BNO6S
Molecular Weight357.24 g/mol
Exact Mass357.14
IUPAC Name[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid
SMILESCOc1ccc(B(O)O)cc1S(=O)(=O)NCC1CCC(OC)CC1
InChIInChI=1S/C15H24BNO6S/c1-22-13-6-3-11(4-7-13)10-17-24(20,21)15-9-12(16(18)19)5-8-14(15)23-2/h5,8-9,11,13,17-19H,3-4,6-7,10H2,1-2H3
InChIKeyOIZCBXVOCRVGCF-UHFFFAOYSA-N
XLogP-0.14
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid
CID 91759393
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64913301
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
methyl 4-methoxy-3-[[1-(thian-4-yl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 91814290

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid?
The IUPAC name of [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid (CID 91759370) is [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid.
What is the SMILES notation for [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid?
The canonical SMILES for [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid is COc1ccc(B(O)O)cc1S(=O)(=O)NCC1CCC(OC)CC1.
What is the InChIKey of [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid?
The InChIKey is OIZCBXVOCRVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO6S/c1-22-13-6-3-11(4-7-13)10-17-24(20,21)15-9-12(16(18)19)5-8-14(15)23-2/h5,8-9,11,13,17-19H,3-4,6-7,10H2,1-2H3.
What are the key properties of [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid?
[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid has a molecular weight of 357.24 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid is sourced from PubChem (CID 91759370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).