N-sulfonyltriazine-4-carboxamide

C4H2N4O3S — CID 141377040

IUPACN-sulfonyltriazine-4-carboxamide
SMILESO=C(N=S(=O)=O)c1ccnnn1
InChIInChI=1S/C4H2N4O3S/c9-4(7-12(10)11)3-1-2-5-8-6-3/h1-2H
InChIKeyVZTQXRJUAWWNOA-UHFFFAOYSA-N
MW186.15 g/mol
LogP-0.93
Rot. Bonds1

About N-sulfonyltriazine-4-carboxamide

N-sulfonyltriazine-4-carboxamide (PubChem CID 141377040) has the molecular formula C4H2N4O3S and a molecular weight of 186.15 g/mol. Its IUPAC name is N-sulfonyltriazine-4-carboxamide.

Molecular Properties

Compound NameN-sulfonyltriazine-4-carboxamide
PubChem CID141377040
Molecular FormulaC4H2N4O3S
Molecular Weight186.15 g/mol
Exact Mass185.98
IUPAC NameN-sulfonyltriazine-4-carboxamide
SMILESO=C(N=S(=O)=O)c1ccnnn1
InChIInChI=1S/C4H2N4O3S/c9-4(7-12(10)11)3-1-2-5-8-6-3/h1-2H
InChIKeyVZTQXRJUAWWNOA-UHFFFAOYSA-N
XLogP-0.93
TPSA102.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-sulfonyltriazine-4-carboxamide?
The IUPAC name of N-sulfonyltriazine-4-carboxamide (CID 141377040) is N-sulfonyltriazine-4-carboxamide.
What is the SMILES notation for N-sulfonyltriazine-4-carboxamide?
The canonical SMILES for N-sulfonyltriazine-4-carboxamide is O=C(N=S(=O)=O)c1ccnnn1.
What is the InChIKey of N-sulfonyltriazine-4-carboxamide?
The InChIKey is VZTQXRJUAWWNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4O3S/c9-4(7-12(10)11)3-1-2-5-8-6-3/h1-2H.
What are the key properties of N-sulfonyltriazine-4-carboxamide?
N-sulfonyltriazine-4-carboxamide has a molecular weight of 186.15 g/mol, XLogP of -0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfonyltriazine-4-carboxamide is sourced from PubChem (CID 141377040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).