3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid

C14H14N2O4S — CID 53224585

IUPAC3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1cccc(-c2cccnc2C(=O)O)c1
InChIInChI=1S/C14H14N2O4S/c1-16(2)21(19,20)11-6-3-5-10(9-11)12-7-4-8-15-13(12)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyFWHORELSXLMKLD-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.70
Rot. Bonds4

About 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid

3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 53224585) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
PubChem CID53224585
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1cccc(-c2cccnc2C(=O)O)c1
InChIInChI=1S/C14H14N2O4S/c1-16(2)21(19,20)11-6-3-5-10(9-11)12-7-4-8-15-13(12)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyFWHORELSXLMKLD-UHFFFAOYSA-N
XLogP1.70
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
3-phenylpyridine-2-carboxylic acid
CID 2762789
N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
4-(3-methylsulfonylphenyl)pyridine-2-carboxylic acid
CID 53224214
N,N-dimethylbenzo[e]azulene-5-sulfonamide
CID 67468891
2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 25167913
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
3-(1H-indol-6-yl)pyridine-2-carboxylic acid
CID 175760025

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid (CID 53224585) is 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid is CN(C)S(=O)(=O)c1cccc(-c2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is FWHORELSXLMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-16(2)21(19,20)11-6-3-5-10(9-11)12-7-4-8-15-13(12)14(17)18/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53224585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).