1-sulfonyl-3-(1,3,5-triazin-2-yl)urea

C4H3N5O3S — CID 19777646

IUPAC1-sulfonyl-3-(1,3,5-triazin-2-yl)urea
SMILESO=C(N=S(=O)=O)Nc1ncncn1
InChIInChI=1S/C4H3N5O3S/c10-4(9-13(11)12)8-3-6-1-5-2-7-3/h1-2H,(H,5,6,7,8,10)
InChIKeyLQAHAYCYABCYBQ-UHFFFAOYSA-N
MW201.17 g/mol
LogP-0.53
Rot. Bonds1

About 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea

1-sulfonyl-3-(1,3,5-triazin-2-yl)urea (PubChem CID 19777646) has the molecular formula C4H3N5O3S and a molecular weight of 201.17 g/mol. Its IUPAC name is 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-sulfonyl-3-(1,3,5-triazin-2-yl)urea
PubChem CID19777646
Molecular FormulaC4H3N5O3S
Molecular Weight201.17 g/mol
Exact Mass201.00
IUPAC Name1-sulfonyl-3-(1,3,5-triazin-2-yl)urea
SMILESO=C(N=S(=O)=O)Nc1ncncn1
InChIInChI=1S/C4H3N5O3S/c10-4(9-13(11)12)8-3-6-1-5-2-7-3/h1-2H,(H,5,6,7,8,10)
InChIKeyLQAHAYCYABCYBQ-UHFFFAOYSA-N
XLogP-0.53
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Carbamoyl(sulfinato)amino]-1,3,5-triazine
CID 17888134
Ureido-s-triazine
CID 19917709
Thiocarbamate s-Triazine
CID 56995632
Sulfonylurea;1,3,5-triazine
CID 19074086
N-(1,3,5-triazin-2-ylcarbamoyl)sulfamoyl chloride
CID 20398790
2-(Sulfinatocarbamoylamino)-1,3,5-triazine
CID 21654698
2-(Sulfinatoamino)-1,3,5-triazine
CID 54387720
2-[(N'-sulfinatocarbamimidoyl)amino]-1,3,5-triazine
CID 57289723
[4-(Carbamoylamino)-1,3,5-triazin-2-yl]urea
CID 68655116
Carbamoyl(1,3,5-triazin-2-yl)sulfamic acid
CID 70498753
4-Isocyanato-1,3,5-triazin-2-amine
CID 88255694
Isocyanic acid;1,3,5-triazine
CID 88847534

Frequently Asked Questions

What is the IUPAC name of 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea (CID 19777646) is 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea is O=C(N=S(=O)=O)Nc1ncncn1.
What is the InChIKey of 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea?
The InChIKey is LQAHAYCYABCYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O3S/c10-4(9-13(11)12)8-3-6-1-5-2-7-3/h1-2H,(H,5,6,7,8,10).
What are the key properties of 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea?
1-sulfonyl-3-(1,3,5-triazin-2-yl)urea has a molecular weight of 201.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfonyl-3-(1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 19777646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).