5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine

C15H12Cl2N4O2S — CID 141185234

IUPAC5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)c3c(Cl)nnnc3Cl)cccc12
InChIInChI=1S/C15H12Cl2N4O2S/c1-21(2)11-7-3-6-10-9(11)5-4-8-12(10)24(22,23)13-14(16)18-20-19-15(13)17/h3-8H,1-2H3
InChIKeyZWSPBSDIHJKNHP-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.23
Rot. Bonds3

About 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine

5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 141185234) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine
PubChem CID141185234
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)c3c(Cl)nnnc3Cl)cccc12
InChIInChI=1S/C15H12Cl2N4O2S/c1-21(2)11-7-3-6-10-9(11)5-4-8-12(10)24(22,23)13-14(16)18-20-19-15(13)17/h3-8H,1-2H3
InChIKeyZWSPBSDIHJKNHP-UHFFFAOYSA-N
XLogP3.23
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine (CID 141185234) is 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)c3c(Cl)nnnc3Cl)cccc12.
What is the InChIKey of 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
The InChIKey is ZWSPBSDIHJKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c1-21(2)11-7-3-6-10-9(11)5-4-8-12(10)24(22,23)13-14(16)18-20-19-15(13)17/h3-8H,1-2H3.
What are the key properties of 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 383.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dichlorotriazin-5-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 141185234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).