6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol

C11H14ClNO4S — CID 123742707

IUPAC6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2CCOCC2)c1O
InChIInChI=1S/C11H14ClNO4S/c12-8-1-2-9(13)10(14)11(8)18(15,16)7-3-5-17-6-4-7/h1-2,7,14H,3-6,13H2
InChIKeyPGKOJCCYRFLBSO-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.58
Rot. Bonds2

About 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol

6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol (PubChem CID 123742707) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol
PubChem CID123742707
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2CCOCC2)c1O
InChIInChI=1S/C11H14ClNO4S/c12-8-1-2-9(13)10(14)11(8)18(15,16)7-3-5-17-6-4-7/h1-2,7,14H,3-6,13H2
InChIKeyPGKOJCCYRFLBSO-UHFFFAOYSA-N
XLogP1.58
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.58
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'}

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Related Compounds

6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol
CID 118540723
6-amino-3-chloro-2-piperidin-4-ylsulfonylphenol
CID 134594439
6-amino-3-chloro-2-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenol
CID 118540888
6-amino-3-chloro-2-[(1S,3S)-3-hydroxycyclohexyl]sulfonylphenol
CID 118554748
6-amino-3-chloro-2-[1-(2-fluoroethyl)piperidin-4-yl]sulfonylphenol
CID 118554774
6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol
CID 118540699
6-amino-3-chloro-2-(4-fluorooxan-4-yl)sulfonylphenol;2-tert-butyl-6-chloro-7-(4-fluorooxan-4-yl)sulfonyl-1,3-benzoxazole;2-tert-butyl-6-chloro-7-(oxan-4-ylsulfonyl)-1,3-benzoxazole
CID 161070166
4-chloro-2-(oxan-4-ylsulfonyl)aniline
CID 81180858
6-amino-3-chloro-2-[(1R,2S)-2-(dimethylamino)cyclopentyl]sulfonylphenol
CID 118540832
1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-2-hydroxy-3-(oxan-4-ylsulfonyl)phenyl]urea
CID 118554756
2-(oxan-4-ylsulfonyl)aniline
CID 63936905
6-amino-3-chloro-2-(1-cyclobutyl-4-fluoropiperidin-4-yl)sulfonylphenol;ethane
CID 144967064

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol?
The IUPAC name of 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol (CID 123742707) is 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol.
What is the SMILES notation for 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol?
The canonical SMILES for 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol is Nc1ccc(Cl)c(S(=O)(=O)C2CCOCC2)c1O.
What is the InChIKey of 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol?
The InChIKey is PGKOJCCYRFLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c12-8-1-2-9(13)10(14)11(8)18(15,16)7-3-5-17-6-4-7/h1-2,7,14H,3-6,13H2.
What are the key properties of 6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol?
6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol has a molecular weight of 291.76 g/mol, XLogP of 1.58, 2 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-(oxan-4-ylsulfonyl)phenol is sourced from PubChem (CID 123742707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).