4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid

C12H16N4O6S2 — CID 21393658

IUPAC4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.O=S(=O)(O)O
InChIInChI=1S/C12H14N4O2S.H2O4S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;1-5(2,3)4/h3-7H,13H2,1-2H3,(H,14,15,16);(H2,1,2,3,4)
InChIKeySOHZBANIDAJXHD-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid

4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid (PubChem CID 21393658) has the molecular formula C12H16N4O6S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
PubChem CID21393658
Molecular FormulaC12H16N4O6S2
Molecular Weight376.42 g/mol
Exact Mass376.05
IUPAC Name4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.O=S(=O)(O)O
InChIInChI=1S/C12H14N4O2S.H2O4S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;1-5(2,3)4/h3-7H,13H2,1-2H3,(H,14,15,16);(H2,1,2,3,4)
InChIKeySOHZBANIDAJXHD-UHFFFAOYSA-N
XLogP0.82
TPSA172.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid 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-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;(Z)-4-amino-4-oxobut-2-enoic acid
CID 69385470
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 174831503
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
bis(4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide);bis(1-hydroxynaphthalene-2-carboxylic acid)
CID 139144524
4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide
CID 51063034
[1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 25034889
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid?
The IUPAC name of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid (CID 21393658) is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid.
What is the SMILES notation for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid?
The canonical SMILES for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid is Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.O=S(=O)(O)O.
What is the InChIKey of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid?
The InChIKey is SOHZBANIDAJXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S.H2O4S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;1-5(2,3)4/h3-7H,13H2,1-2H3,(H,14,15,16);(H2,1,2,3,4).
What are the key properties of 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid?
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid has a molecular weight of 376.42 g/mol, XLogP of 0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid is sourced from PubChem (CID 21393658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).