3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide

C16H16N2O4S — CID 67645206

IUPAC3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide
SMILESCC1(C)Oc2ccc(S(=O)(=O)Nc3ccccn3)cc2C=C1O
InChIInChI=1S/C16H16N2O4S/c1-16(2)14(19)10-11-9-12(6-7-13(11)22-16)23(20,21)18-15-5-3-4-8-17-15/h3-10,19H,1-2H3,(H,17,18)
InChIKeyYKUGIBZDZNZCNA-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.95
Rot. Bonds3

About 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide

3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide (PubChem CID 67645206) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide
PubChem CID67645206
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide
SMILESCC1(C)Oc2ccc(S(=O)(=O)Nc3ccccn3)cc2C=C1O
InChIInChI=1S/C16H16N2O4S/c1-16(2)14(19)10-11-9-12(6-7-13(11)22-16)23(20,21)18-15-5-3-4-8-17-15/h3-10,19H,1-2H3,(H,17,18)
InChIKeyYKUGIBZDZNZCNA-UHFFFAOYSA-N
XLogP2.95
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
2,2,6-trimethylchromen-3-ol
CID 70365956
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl](14C)benzoic acid
CID 136795422
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
3-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoic acid
CID 56662701
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide (CID 67645206) is 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide is CC1(C)Oc2ccc(S(=O)(=O)Nc3ccccn3)cc2C=C1O.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide?
The InChIKey is YKUGIBZDZNZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-16(2)14(19)10-11-9-12(6-7-13(11)22-16)23(20,21)18-15-5-3-4-8-17-15/h3-10,19H,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide?
3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-pyridin-2-ylchromene-6-sulfonamide is sourced from PubChem (CID 67645206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).