2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide

C11H11Cl2N5O2S — CID 114386798

IUPAC2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)nc1C
InChIInChI=1S/C11H11Cl2N5O2S/c1-5-6(2)16-17-11(15-5)18-21(19,20)10-8(13)3-7(12)4-9(10)14/h3-4H,14H2,1-2H3,(H,15,17,18)
InChIKeyYUNTUNHFOGKHEH-UHFFFAOYSA-N
MW348.22 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114386798) has the molecular formula C11H11Cl2N5O2S and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114386798
Molecular FormulaC11H11Cl2N5O2S
Molecular Weight348.22 g/mol
Exact Mass347.00
IUPAC Name2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)nc1C
InChIInChI=1S/C11H11Cl2N5O2S/c1-5-6(2)16-17-11(15-5)18-21(19,20)10-8(13)3-7(12)4-9(10)14/h3-4H,14H2,1-2H3,(H,15,17,18)
InChIKeyYUNTUNHFOGKHEH-UHFFFAOYSA-N
XLogP2.18
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386803
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386821
2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617270
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
CID 43256148
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114389265
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-sulfonamide
CID 103307784
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide (CID 114386798) is 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)nc1C.
What is the InChIKey of 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is YUNTUNHFOGKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O2S/c1-5-6(2)16-17-11(15-5)18-21(19,20)10-8(13)3-7(12)4-9(10)14/h3-4H,14H2,1-2H3,(H,15,17,18).
What are the key properties of 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 348.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114386798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).