6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol

C12H17ClN2O3S — CID 118540699

IUPAC6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol
SMILESCN(C)C1CC(S(=O)(=O)c2c(Cl)ccc(N)c2O)C1
InChIInChI=1S/C12H17ClN2O3S/c1-15(2)7-5-8(6-7)19(17,18)12-9(13)3-4-10(14)11(12)16/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyDNLOCFPLJLTLQC-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.49
Rot. Bonds3

About 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol

6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol (PubChem CID 118540699) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol
PubChem CID118540699
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol
SMILESCN(C)C1CC(S(=O)(=O)c2c(Cl)ccc(N)c2O)C1
InChIInChI=1S/C12H17ClN2O3S/c1-15(2)7-5-8(6-7)19(17,18)12-9(13)3-4-10(14)11(12)16/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyDNLOCFPLJLTLQC-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol 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

6-amino-3-chloro-2-[(1R,2S)-2-(dimethylamino)cyclopentyl]sulfonylphenol
CID 118540832
6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol
CID 123742707
6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol
CID 134594439
6-amino-3-chloro-2-[(1S,3S)-3-hydroxycyclohexyl]sulfonylphenol
CID 118554748
6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol
CID 118540723
6-amino-3-chloro-2-[1-(2-fluoroethyl)piperidin-4-yl]sulfonylphenol
CID 118554774
6-amino-3-chloro-2-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenol
CID 118540888
6-amino-3-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenol
CID 67077102
6-amino-3-chloro-2-(1-cyclobutyl-4-fluoropiperidin-4-yl)sulfonylphenol;ethane
CID 144967064
3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide
CID 18373522
tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 143568268
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol?
The IUPAC name of 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol (CID 118540699) is 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol.
What is the SMILES notation for 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol?
The canonical SMILES for 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol is CN(C)C1CC(S(=O)(=O)c2c(Cl)ccc(N)c2O)C1.
What is the InChIKey of 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol?
The InChIKey is DNLOCFPLJLTLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-15(2)7-5-8(6-7)19(17,18)12-9(13)3-4-10(14)11(12)16/h3-4,7-8,16H,5-6,14H2,1-2H3.
What are the key properties of 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol?
6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol has a molecular weight of 304.80 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol is sourced from PubChem (CID 118540699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).