N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide

C4H5N5O3S — CID 54114751

IUPACN-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide
SMILESNS(=O)(=O)c1ncnc(NC=O)n1
InChIInChI=1S/C4H5N5O3S/c5-13(11,12)4-7-1-6-3(9-4)8-2-10/h1-2H,(H2,5,11,12)(H,6,7,8,9,10)
InChIKeyNJONDYKAVMXSJP-UHFFFAOYSA-N
MW203.18 g/mol
LogP-1.91
Rot. Bonds3

About N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide

N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide (PubChem CID 54114751) has the molecular formula C4H5N5O3S and a molecular weight of 203.18 g/mol. Its IUPAC name is N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound NameN-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide
PubChem CID54114751
Molecular FormulaC4H5N5O3S
Molecular Weight203.18 g/mol
Exact Mass203.01
IUPAC NameN-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide
SMILESNS(=O)(=O)c1ncnc(NC=O)n1
InChIInChI=1S/C4H5N5O3S/c5-13(11,12)4-7-1-6-3(9-4)8-2-10/h1-2H,(H2,5,11,12)(H,6,7,8,9,10)
InChIKeyNJONDYKAVMXSJP-UHFFFAOYSA-N
XLogP-1.91
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-ylsulfonylurea
CID 54012525
N-(1,3,5-triazin-2-ylsulfonyl)formamide
CID 173146461
1-Carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea
CID 174373734
Aminomethyl 1,3,5-triazine-2-sulfonate
CID 174772001
2-[Carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine
CID 175594396
2-[Carbamoyl(sulfino)sulfamoyl]-1,3,5-triazine
CID 175594397

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide?
The IUPAC name of N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide (CID 54114751) is N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide?
The canonical SMILES for N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide is NS(=O)(=O)c1ncnc(NC=O)n1.
What is the InChIKey of N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide?
The InChIKey is NJONDYKAVMXSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O3S/c5-13(11,12)4-7-1-6-3(9-4)8-2-10/h1-2H,(H2,5,11,12)(H,6,7,8,9,10).
What are the key properties of N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide?
N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide has a molecular weight of 203.18 g/mol, XLogP of -1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 54114751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).