6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol

C10H12ClNO4S — CID 118540723

IUPAC6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2CCOC2)c1O
InChIInChI=1S/C10H12ClNO4S/c11-7-1-2-8(12)9(13)10(7)17(14,15)6-3-4-16-5-6/h1-2,6,13H,3-5,12H2
InChIKeyQWWMBAXCIBYQGE-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.19
Rot. Bonds2

About 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol

6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol (PubChem CID 118540723) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol
PubChem CID118540723
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2CCOC2)c1O
InChIInChI=1S/C10H12ClNO4S/c11-7-1-2-8(12)9(13)10(7)17(14,15)6-3-4-16-5-6/h1-2,6,13H,3-5,12H2
InChIKeyQWWMBAXCIBYQGE-UHFFFAOYSA-N
XLogP1.19
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.19
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-(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-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenol
CID 118540888
6-amino-3-chloro-2-[3-(dimethylamino)cyclobutyl]sulfonylphenol
CID 118540699
6-amino-3-chloro-2-[1-(2-fluoroethyl)piperidin-4-yl]sulfonylphenol
CID 118554774
6-amino-3-chloro-2-[(1R,2S)-2-(dimethylamino)cyclopentyl]sulfonylphenol
CID 118540832
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
1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-2-hydroxy-3-(oxan-4-ylsulfonyl)phenyl]urea
CID 118554756
[4-chloro-2-hydroxy-3-[2-[(3S)-oxolan-3-yl]propan-2-ylsulfonyl]phenyl] carbamate
CID 175019994
(3S)-oxolane-3-sulfonic acid
CID 151710513

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol?
The IUPAC name of 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol (CID 118540723) is 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol.
What is the SMILES notation for 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol?
The canonical SMILES for 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol is Nc1ccc(Cl)c(S(=O)(=O)C2CCOC2)c1O.
What is the InChIKey of 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol?
The InChIKey is QWWMBAXCIBYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c11-7-1-2-8(12)9(13)10(7)17(14,15)6-3-4-16-5-6/h1-2,6,13H,3-5,12H2.
What are the key properties of 6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol?
6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol has a molecular weight of 277.73 g/mol, XLogP of 1.19, 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-(oxolan-3-ylsulfonyl)phenol is sourced from PubChem (CID 118540723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).