4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C15H14N4O2S2 — CID 11617172

IUPAC4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19)
InChIKeyMTUNOSRERUFMFB-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.90
Rot. Bonds4

About 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11617172) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11617172
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19)
InChIKeyMTUNOSRERUFMFB-UHFFFAOYSA-N
XLogP2.90
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide 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

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
Sulfamerazine Sodium
CID 15899899
4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
Asnuciclib
CID 71561915
CDK Inhibitor, 6
CID 11595939
CDK Inhibitor, 3
CID 11675224

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 11617172) is 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1.
What is the InChIKey of 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is MTUNOSRERUFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19).
What are the key properties of 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 346.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11617172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).