4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol

C20H17N5O3S — CID 135427983

IUPAC4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol
SMILESCn1ccnc1S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C20H17N5O3S/c1-25-13-12-22-20(25)29(27,28)17-8-4-15(5-9-17)23-19-21-11-10-18(24-19)14-2-6-16(26)7-3-14/h2-13,26H,1H3,(H,21,23,24)
InChIKeyGVIBHKYNYIOGCG-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.16
Rot. Bonds5

About 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol

4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol (PubChem CID 135427983) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol
PubChem CID135427983
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol
SMILESCn1ccnc1S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C20H17N5O3S/c1-25-13-12-22-20(25)29(27,28)17-8-4-15(5-9-17)23-19-21-11-10-18(24-19)14-2-6-16(26)7-3-14/h2-13,26H,1H3,(H,21,23,24)
InChIKeyGVIBHKYNYIOGCG-UHFFFAOYSA-N
XLogP3.16
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol 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-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 58716809
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-(4-methylsulfonylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
CID 59588069
4-(4-methylsulfonylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 59588103
piperazin-1-yl-[4-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 58716570
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzamide
CID 59588181
4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
CID 18545602
1-[4-[4-[[4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone
CID 58716646
[4-(2-ethoxyethyl)piperazin-1-yl]-[4-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 58716750

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol (CID 135427983) is 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol is Cn1ccnc1S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol?
The InChIKey is GVIBHKYNYIOGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-25-13-12-22-20(25)29(27,28)17-8-4-15(5-9-17)23-19-21-11-10-18(24-19)14-2-6-16(26)7-3-14/h2-13,26H,1H3,(H,21,23,24).
What are the key properties of 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol?
4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol has a molecular weight of 407.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-methylimidazol-2-yl)sulfonylanilino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135427983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).