4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide

C11H19ClN4O2S — CID 114389012

IUPAC4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)CCCCCl)nc1CC
InChIInChI=1S/C11H19ClN4O2S/c1-3-9-10(4-2)14-15-11(13-9)16-19(17,18)8-6-5-7-12/h3-8H2,1-2H3,(H,13,15,16)
InChIKeyJGRIYOHAXXRXJZ-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.76
Rot. Bonds8

About 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide

4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide (PubChem CID 114389012) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide
PubChem CID114389012
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)CCCCCl)nc1CC
InChIInChI=1S/C11H19ClN4O2S/c1-3-9-10(4-2)14-15-11(13-9)16-19(17,18)8-6-5-7-12/h3-8H2,1-2H3,(H,13,15,16)
InChIKeyJGRIYOHAXXRXJZ-UHFFFAOYSA-N
XLogP1.76
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(methylamino)ethanesulfonamide
CID 114388302
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(ethylamino)ethanesulfonamide
CID 114388299
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(propylamino)ethanesulfonamide
CID 106084293
3-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389008
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116816033
2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114387378
4-chloro-N-(2-methyltetrazol-5-yl)butane-1-sulfonamide
CID 116816380
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
CID 107602665
N-(5,6-diethyl-1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388862
N-[3-(3-chloropropyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363453

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide (CID 114389012) is 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide is CCc1nnc(NS(=O)(=O)CCCCCl)nc1CC.
What is the InChIKey of 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide?
The InChIKey is JGRIYOHAXXRXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-3-9-10(4-2)14-15-11(13-9)16-19(17,18)8-6-5-7-12/h3-8H2,1-2H3,(H,13,15,16).
What are the key properties of 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide?
4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 114389012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).