N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide

C11H15N5O2S — CID 91650887

IUPACN,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1cnnn1C
InChIInChI=1S/C11H15N5O2S/c1-15(8-6-10-5-3-4-7-12-10)19(17,18)11-9-13-14-16(11)2/h3-5,7,9H,6,8H2,1-2H3
InChIKeySRGAKZYUNFRKNC-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.07
Rot. Bonds5

About N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide

N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide (PubChem CID 91650887) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
PubChem CID91650887
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1cnnn1C
InChIInChI=1S/C11H15N5O2S/c1-15(8-6-10-5-3-4-7-12-10)19(17,18)11-9-13-14-16(11)2/h3-5,7,9H,6,8H2,1-2H3
InChIKeySRGAKZYUNFRKNC-UHFFFAOYSA-N
XLogP0.07
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 102751202
N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43091245
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide?
The IUPAC name of N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide (CID 91650887) is N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1cnnn1C.
What is the InChIKey of N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide?
The InChIKey is SRGAKZYUNFRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-15(8-6-10-5-3-4-7-12-10)19(17,18)11-9-13-14-16(11)2/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide?
N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide is sourced from PubChem (CID 91650887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).