6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid

C11H12N4O4S — CID 63874522

IUPAC6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESCn1ccnc1CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H12N4O4S/c1-15-5-4-12-9(15)7-14-20(18,19)10-3-2-8(6-13-10)11(16)17/h2-6,14H,7H2,1H3,(H,16,17)
InChIKeyBZADNXDSFNTJNF-UHFFFAOYSA-N
MW296.31 g/mol
LogP-0.01
Rot. Bonds5

About 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid

6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63874522) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID63874522
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESCn1ccnc1CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H12N4O4S/c1-15-5-4-12-9(15)7-14-20(18,19)10-3-2-8(6-13-10)11(16)17/h2-6,14H,7H2,1H3,(H,16,17)
InChIKeyBZADNXDSFNTJNF-UHFFFAOYSA-N
XLogP-0.01
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
CID 63872025
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
4-chloro-3-[(1-methylimidazol-2-yl)methylamino]benzoic acid
CID 82539404
2-[(1-methylimidazol-2-yl)methylsulfamoyl]propanoic acid
CID 63293623
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid (CID 63874522) is 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid is Cn1ccnc1CNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is BZADNXDSFNTJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-15-5-4-12-9(15)7-14-20(18,19)10-3-2-8(6-13-10)11(16)17/h2-6,14H,7H2,1H3,(H,16,17).
What are the key properties of 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylimidazol-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63874522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).