sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide

C11H11N4NaO3S — CID 14818686

IUPACsodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide
SMILESCOc1cnc(NS(=O)(=O)c2ccc([NH-])cc2)nc1.[Na+]
InChIInChI=1S/C11H11N4O3S.Na/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;/h2-7,12H,1H3,(H,13,14,15);/q-1;+1
InChIKeyFRLJPXLANPCKLP-UHFFFAOYSA-N
MW302.29 g/mol
LogP-1.03
Rot. Bonds4

About sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide

sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide (PubChem CID 14818686) has the molecular formula C11H11N4NaO3S and a molecular weight of 302.29 g/mol. Its IUPAC name is sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide.

Molecular Properties

Compound Namesodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide
PubChem CID14818686
Molecular FormulaC11H11N4NaO3S
Molecular Weight302.29 g/mol
Exact Mass302.04
IUPAC Namesodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide
SMILESCOc1cnc(NS(=O)(=O)c2ccc([NH-])cc2)nc1.[Na+]
InChIInChI=1S/C11H11N4O3S.Na/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;/h2-7,12H,1H3,(H,13,14,15);/q-1;+1
InChIKeyFRLJPXLANPCKLP-UHFFFAOYSA-N
XLogP-1.03
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide?
The IUPAC name of sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide (CID 14818686) is sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide.
What is the SMILES notation for sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide?
The canonical SMILES for sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide is COc1cnc(NS(=O)(=O)c2ccc([NH-])cc2)nc1.[Na+].
What is the InChIKey of sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide?
The InChIKey is FRLJPXLANPCKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N4O3S.Na/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;/h2-7,12H,1H3,(H,13,14,15);/q-1;+1.
What are the key properties of sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide?
sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide has a molecular weight of 302.29 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]azanide is sourced from PubChem (CID 14818686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).