[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

C14H15N4O4S- — CID 4746240

IUPAC[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1
InChIInChI=1S/C14H16N4O4S/c1-3-22-14(19)17-11-4-6-12(7-5-11)23(20,21)18-13-15-9-8-10(2)16-13/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)/p-1
InChIKeyCNNBOBAVSJCNBF-UHFFFAOYSA-M
MW335.37 g/mol
LogP2.75
Rot. Bonds5

About [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide (PubChem CID 4746240) has the molecular formula C14H15N4O4S- and a molecular weight of 335.37 g/mol. Its IUPAC name is [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide.

Molecular Properties

Compound Name[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
PubChem CID4746240
Molecular FormulaC14H15N4O4S-
Molecular Weight335.37 g/mol
Exact Mass335.08
IUPAC Name[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1
InChIInChI=1S/C14H16N4O4S/c1-3-22-14(19)17-11-4-6-12(7-5-11)23(20,21)18-13-15-9-8-10(2)16-13/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)/p-1
InChIKeyCNNBOBAVSJCNBF-UHFFFAOYSA-M
XLogP2.75
TPSA112.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The IUPAC name of [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide (CID 4746240) is [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide.
What is the SMILES notation for [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The canonical SMILES for [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide is CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1.
What is the InChIKey of [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The InChIKey is CNNBOBAVSJCNBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N4O4S/c1-3-22-14(19)17-11-4-6-12(7-5-11)23(20,21)18-13-15-9-8-10(2)16-13/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)/p-1.
What are the key properties of [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide has a molecular weight of 335.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide is sourced from PubChem (CID 4746240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).