4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C18H16N6O2S — CID 70682821

IUPAC4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C18H16N6O2S/c1-24-16-5-3-2-4-14(16)17(23-24)15-10-11-20-18(22-15)21-12-6-8-13(9-7-12)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,22)
InChIKeyZFEYLWUPVGFOSD-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.42
Rot. Bonds4

About 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 70682821) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID70682821
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C18H16N6O2S/c1-24-16-5-3-2-4-14(16)17(23-24)15-10-11-20-18(22-15)21-12-6-8-13(9-7-12)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,22)
InChIKeyZFEYLWUPVGFOSD-UHFFFAOYSA-N
XLogP2.42
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(1-methylindazol-3-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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 70682821) is 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21.
What is the InChIKey of 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is ZFEYLWUPVGFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-24-16-5-3-2-4-14(16)17(23-24)15-10-11-20-18(22-15)21-12-6-8-13(9-7-12)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,22).
What are the key properties of 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 70682821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).