4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine

C18H13FN4O2S — CID 146240048

IUPAC4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1
InChIInChI=1S/C18H13FN4O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H,(H2,20,21,22)
InChIKeyUHTKWXVTEOUGKZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.06
Rot. Bonds3

About 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine

4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine (PubChem CID 146240048) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine
PubChem CID146240048
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1
InChIInChI=1S/C18H13FN4O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H,(H2,20,21,22)
InChIKeyUHTKWXVTEOUGKZ-UHFFFAOYSA-N
XLogP3.06
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine 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-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine (CID 146240048) is 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is UHTKWXVTEOUGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H,(H2,20,21,22).
What are the key properties of 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine?
4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 368.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-3-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 146240048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).