2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C11H11Cl2N5O2S — CID 106081872

IUPAC2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)Nc2nccnn2)c1Cl
InChIInChI=1S/C11H11Cl2N5O2S/c1-14-6-7-8(12)2-3-9(10(7)13)21(19,20)18-11-15-4-5-16-17-11/h2-5,14H,6H2,1H3,(H,15,17,18)
InChIKeyFXEGXKSKNNLDTG-UHFFFAOYSA-N
MW348.22 g/mol
LogP1.70
Rot. Bonds5

About 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide

2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 106081872) has the molecular formula C11H11Cl2N5O2S and a molecular weight of 348.22 g/mol. Its IUPAC name is 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID106081872
Molecular FormulaC11H11Cl2N5O2S
Molecular Weight348.22 g/mol
Exact Mass347.00
IUPAC Name2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)Nc2nccnn2)c1Cl
InChIInChI=1S/C11H11Cl2N5O2S/c1-14-6-7-8(12)2-3-9(10(7)13)21(19,20)18-11-15-4-5-16-17-11/h2-5,14H,6H2,1H3,(H,15,17,18)
InChIKeyFXEGXKSKNNLDTG-UHFFFAOYSA-N
XLogP1.70
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071850
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081960
3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071916
2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077414
2,4-dichloro-3-(methylaminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066154
2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389146
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083183
2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389289
6-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389293
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114388268

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 106081872) is 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide is CNCc1c(Cl)ccc(S(=O)(=O)Nc2nccnn2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is FXEGXKSKNNLDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O2S/c1-14-6-7-8(12)2-3-9(10(7)13)21(19,20)18-11-15-4-5-16-17-11/h2-5,14H,6H2,1H3,(H,15,17,18).
What are the key properties of 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 348.22 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).