(2-methylpyrazol-3-yl)sulfamoyl formate

C5H7N3O4S — CID 174690965

IUPAC(2-methylpyrazol-3-yl)sulfamoyl formate
SMILESCn1nccc1NS(=O)(=O)OC=O
InChIInChI=1S/C5H7N3O4S/c1-8-5(2-3-6-8)7-13(10,11)12-4-9/h2-4,7H,1H3
InChIKeyOUGQBMAWPXATCC-UHFFFAOYSA-N
MW205.19 g/mol
LogP-0.75
Rot. Bonds4

About (2-methylpyrazol-3-yl)sulfamoyl formate

(2-methylpyrazol-3-yl)sulfamoyl formate (PubChem CID 174690965) has the molecular formula C5H7N3O4S and a molecular weight of 205.19 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)sulfamoyl formate.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)sulfamoyl formate
PubChem CID174690965
Molecular FormulaC5H7N3O4S
Molecular Weight205.19 g/mol
Exact Mass205.02
IUPAC Name(2-methylpyrazol-3-yl)sulfamoyl formate
SMILESCn1nccc1NS(=O)(=O)OC=O
InChIInChI=1S/C5H7N3O4S/c1-8-5(2-3-6-8)7-13(10,11)12-4-9/h2-4,7H,1H3
InChIKeyOUGQBMAWPXATCC-UHFFFAOYSA-N
XLogP-0.75
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)sulfamoyl formate?
The IUPAC name of (2-methylpyrazol-3-yl)sulfamoyl formate (CID 174690965) is (2-methylpyrazol-3-yl)sulfamoyl formate.
What is the SMILES notation for (2-methylpyrazol-3-yl)sulfamoyl formate?
The canonical SMILES for (2-methylpyrazol-3-yl)sulfamoyl formate is Cn1nccc1NS(=O)(=O)OC=O.
What is the InChIKey of (2-methylpyrazol-3-yl)sulfamoyl formate?
The InChIKey is OUGQBMAWPXATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4S/c1-8-5(2-3-6-8)7-13(10,11)12-4-9/h2-4,7H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)sulfamoyl formate?
(2-methylpyrazol-3-yl)sulfamoyl formate has a molecular weight of 205.19 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)sulfamoyl formate is sourced from PubChem (CID 174690965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).