(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide

C13H13N4O3S- — CID 3691554

IUPAC(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1
InChIInChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H2,14,15,16,17,18)/p-1
InChIKeyHYBBXHMCIRBHIW-UHFFFAOYSA-M
MW305.34 g/mol
LogP2.14
Rot. Bonds4

About (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide

(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide (PubChem CID 3691554) has the molecular formula C13H13N4O3S- and a molecular weight of 305.34 g/mol. Its IUPAC name is (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide.

Molecular Properties

Compound Name(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
PubChem CID3691554
Molecular FormulaC13H13N4O3S-
Molecular Weight305.34 g/mol
Exact Mass305.07
IUPAC Name(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1
InChIInChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H2,14,15,16,17,18)/p-1
InChIKeyHYBBXHMCIRBHIW-UHFFFAOYSA-M
XLogP2.14
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-acetamidophenyl)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

Related Compounds

[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 4746240
zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)
CID 10557985
silver [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 10816844
[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 4755554
[4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 2172563
[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5061548
bis((4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide);nickel(2+);hexakis(pyridine)
CID 139070427
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5209976
4-acetamidobenzenesulfonic acid chloride
CID 53446633
(4,6-dimethylpyrimidin-2-yl)-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]sulfonylazanide
CID 4067833
[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4753597

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The IUPAC name of (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide (CID 3691554) is (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide.
What is the SMILES notation for (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The canonical SMILES for (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide is CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1.
What is the InChIKey of (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The InChIKey is HYBBXHMCIRBHIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H2,14,15,16,17,18)/p-1.
What are the key properties of (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide has a molecular weight of 305.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide is sourced from PubChem (CID 3691554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).