5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H11ClN2O4S — CID 64607130

IUPAC5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2cccc(CO)c2)cc1Cl
InChIInChI=1S/C12H11ClN2O4S/c13-11-5-10(6-14-12(11)17)20(18,19)15-9-3-1-2-8(4-9)7-16/h1-6,15-16H,7H2,(H,14,17)
InChIKeyCEIJXPTYMCFLMI-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607130) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607130
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2cccc(CO)c2)cc1Cl
InChIInChI=1S/C12H11ClN2O4S/c13-11-5-10(6-14-12(11)17)20(18,19)15-9-3-1-2-8(4-9)7-16/h1-6,15-16H,7H2,(H,14,17)
InChIKeyCEIJXPTYMCFLMI-UHFFFAOYSA-N
XLogP1.32
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 115378925
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352
N-[3-(hydroxymethyl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9067979
5-hydroxy-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 91700365
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 64607130) is 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2cccc(CO)c2)cc1Cl.
What is the InChIKey of 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is CEIJXPTYMCFLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c13-11-5-10(6-14-12(11)17)20(18,19)15-9-3-1-2-8(4-9)7-16/h1-6,15-16H,7H2,(H,14,17).
What are the key properties of 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 314.75 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).