N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide

C15H16N6O3S — CID 26963100

IUPACN,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H16N6O3S/c1-19(2)25(23,24)13-8-9-15(22)20(10-13)11-14-16-17-18-21(14)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeySVSRKYZUUITZPC-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.12
Rot. Bonds5

About N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide

N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide (PubChem CID 26963100) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide
PubChem CID26963100
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H16N6O3S/c1-19(2)25(23,24)13-8-9-15(22)20(10-13)11-14-16-17-18-21(14)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeySVSRKYZUUITZPC-UHFFFAOYSA-N
XLogP0.12
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-phenyltetrazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 39967260
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398
N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 60535540
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 30858508
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
N,N-dimethyl-4-(5-methylsulfanyltetrazol-1-yl)benzenesulfonamide
CID 6460609
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25349108
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 33294779
N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340654

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide (CID 26963100) is N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is SVSRKYZUUITZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-19(2)25(23,24)13-8-9-15(22)20(10-13)11-14-16-17-18-21(14)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 360.40 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 26963100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).