3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

C14H22N2O4S — CID 65115419

IUPAC3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccc(O)c(N)c2)CC1
InChIInChI=1S/C14H22N2O4S/c1-10-4-6-14(18,7-5-10)9-16-21(19,20)11-2-3-13(17)12(15)8-11/h2-3,8,10,16-18H,4-7,9,15H2,1H3
InChIKeyBMCAZRFBCKBPBT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65115419) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65115419
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccc(O)c(N)c2)CC1
InChIInChI=1S/C14H22N2O4S/c1-10-4-6-14(18,7-5-10)9-16-21(19,20)11-2-3-13(17)12(15)8-11/h2-3,8,10,16-18H,4-7,9,15H2,1H3
InChIKeyBMCAZRFBCKBPBT-UHFFFAOYSA-N
XLogP1.19
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide 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

2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115559
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246
5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 65123017

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (CID 65115419) is 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(O)(CNS(=O)(=O)c2ccc(O)c(N)c2)CC1.
What is the InChIKey of 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is BMCAZRFBCKBPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-4-6-14(18,7-5-10)9-16-21(19,20)11-2-3-13(17)12(15)8-11/h2-3,8,10,16-18H,4-7,9,15H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65115419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).