6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide

C13H14N2O3S2 — CID 103341224

IUPAC6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccccc2O)nc1
InChIInChI=1S/C13H14N2O3S2/c1-15(2)20(17,18)10-7-8-13(14-9-10)19-12-6-4-3-5-11(12)16/h3-9,16H,1-2H3
InChIKeyFRORDRBHRZGIJS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.19
Rot. Bonds4

About 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide

6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341224) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341224
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccccc2O)nc1
InChIInChI=1S/C13H14N2O3S2/c1-15(2)20(17,18)10-7-8-13(14-9-10)19-12-6-4-3-5-11(12)16/h3-9,16H,1-2H3
InChIKeyFRORDRBHRZGIJS-UHFFFAOYSA-N
XLogP2.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 103340937
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038
6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
CID 103341263
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
CID 24571736

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide (CID 103341224) is 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(Sc2ccccc2O)nc1.
What is the InChIKey of 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is FRORDRBHRZGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-15(2)20(17,18)10-7-8-13(14-9-10)19-12-6-4-3-5-11(12)16/h3-9,16H,1-2H3.
What are the key properties of 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 310.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).