4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide

C10H9Cl2N5O2S — CID 106192567

IUPAC4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C10H9Cl2N5O2S/c11-8-9(15-10(12)17-16-8)14-5-6-1-3-7(4-2-6)20(13,18)19/h1-4H,5H2,(H2,13,18,19)(H,14,15,17)
InChIKeyGPUQMQJWTCXSDT-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.44
Rot. Bonds4

About 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide

4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide (PubChem CID 106192567) has the molecular formula C10H9Cl2N5O2S and a molecular weight of 334.19 g/mol. Its IUPAC name is 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
PubChem CID106192567
Molecular FormulaC10H9Cl2N5O2S
Molecular Weight334.19 g/mol
Exact Mass332.99
IUPAC Name4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(Cl)nnc2Cl)cc1
InChIInChI=1S/C10H9Cl2N5O2S/c11-8-9(15-10(12)17-16-8)14-5-6-1-3-7(4-2-6)20(13,18)19/h1-4H,5H2,(H2,13,18,19)(H,14,15,17)
InChIKeyGPUQMQJWTCXSDT-UHFFFAOYSA-N
XLogP1.44
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide (CID 106192567) is 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(Cl)nnc2Cl)cc1.
What is the InChIKey of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide?
The InChIKey is GPUQMQJWTCXSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O2S/c11-8-9(15-10(12)17-16-8)14-5-6-1-3-7(4-2-6)20(13,18)19/h1-4H,5H2,(H2,13,18,19)(H,14,15,17).
What are the key properties of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide?
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide has a molecular weight of 334.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 106192567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).