N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide

C12H12N8O3S — CID 167901879

IUPACN-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
SMILESCOc1cnc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)nc1
InChIInChI=1S/C12H12N8O3S/c1-23-8-4-14-11(15-5-8)7-16-24(21,22)9-2-3-10(13-6-9)12-17-19-20-18-12/h2-6,16H,7H2,1H3,(H,17,18,19,20)
InChIKeyMLFVEHZBZQQDDI-UHFFFAOYSA-N
MW348.35 g/mol
LogP-0.46
Rot. Bonds6

About N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide

N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide (PubChem CID 167901879) has the molecular formula C12H12N8O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
PubChem CID167901879
Molecular FormulaC12H12N8O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC NameN-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
SMILESCOc1cnc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)nc1
InChIInChI=1S/C12H12N8O3S/c1-23-8-4-14-11(15-5-8)7-16-24(21,22)9-2-3-10(13-6-9)12-17-19-20-18-12/h2-6,16H,7H2,1H3,(H,17,18,19,20)
InChIKeyMLFVEHZBZQQDDI-UHFFFAOYSA-N
XLogP-0.46
TPSA148.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 137499938
4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 81438010
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 169346984
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide
CID 161306758

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide (CID 167901879) is N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide is COc1cnc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)nc1.
What is the InChIKey of N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is MLFVEHZBZQQDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O3S/c1-23-8-4-14-11(15-5-8)7-16-24(21,22)9-2-3-10(13-6-9)12-17-19-20-18-12/h2-6,16H,7H2,1H3,(H,17,18,19,20).
What are the key properties of N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 348.35 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 167901879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).