6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid

C9H13N3O6S2 — CID 106334984

IUPAC6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O6S2/c1-10-19(15,16)5-4-12-20(17,18)8-3-2-7(6-11-8)9(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14)
InChIKeyKALASGZSYMECDD-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.39
Rot. Bonds7

About 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid

6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 106334984) has the molecular formula C9H13N3O6S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID106334984
Molecular FormulaC9H13N3O6S2
Molecular Weight323.35 g/mol
Exact Mass323.02
IUPAC Name6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C9H13N3O6S2/c1-10-19(15,16)5-4-12-20(17,18)8-3-2-7(6-11-8)9(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14)
InChIKeyKALASGZSYMECDD-UHFFFAOYSA-N
XLogP-1.39
TPSA142.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-(hex-5-ynylsulfamoyl)pyridine-3-carboxylic acid
CID 106209006
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid (CID 106334984) is 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid is CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is KALASGZSYMECDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6S2/c1-10-19(15,16)5-4-12-20(17,18)8-3-2-7(6-11-8)9(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid?
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of -1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106334984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).