N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide

C10H12N4O3S — CID 64517543

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H12N4O3S/c1-14(7-10-12-4-5-13-10)18(16,17)9-6-11-3-2-8(9)15/h2-6H,7H2,1H3,(H,11,15)(H,12,13)
InChIKeyIJYGYRVFMQZCRL-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.08
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64517543) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID64517543
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H12N4O3S/c1-14(7-10-12-4-5-13-10)18(16,17)9-6-11-3-2-8(9)15/h2-6H,7H2,1H3,(H,11,15)(H,12,13)
InChIKeyIJYGYRVFMQZCRL-UHFFFAOYSA-N
XLogP-0.08
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 64519782
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 64518142
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 64512018
5-chloro-2-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516881
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
4-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106998310
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylbenzenecarbothioamide
CID 64518280
2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64518046
4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide (CID 64517543) is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is IJYGYRVFMQZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-14(7-10-12-4-5-13-10)18(16,17)9-6-11-3-2-8(9)15/h2-6H,7H2,1H3,(H,11,15)(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64517543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).