N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine

C18H14Cl2N4S — CID 89248882

IUPACN-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine
SMILESClc1cc(Cl)cc(SNc2cccc3c2CCN3c2ncccn2)c1
InChIInChI=1S/C18H14Cl2N4S/c19-12-9-13(20)11-14(10-12)25-23-16-3-1-4-17-15(16)5-8-24(17)18-21-6-2-7-22-18/h1-4,6-7,9-11,23H,5,8H2
InChIKeyVORGOWIMASGSJP-UHFFFAOYSA-N
MW389.31 g/mol
LogP5.60
Rot. Bonds4

About N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine

N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine (PubChem CID 89248882) has the molecular formula C18H14Cl2N4S and a molecular weight of 389.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine
PubChem CID89248882
Molecular FormulaC18H14Cl2N4S
Molecular Weight389.31 g/mol
Exact Mass388.03
IUPAC NameN-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine
SMILESClc1cc(Cl)cc(SNc2cccc3c2CCN3c2ncccn2)c1
InChIInChI=1S/C18H14Cl2N4S/c19-12-9-13(20)11-14(10-12)25-23-16-3-1-4-17-15(16)5-8-24(17)18-21-6-2-7-22-18/h1-4,6-7,9-11,23H,5,8H2
InChIKeyVORGOWIMASGSJP-UHFFFAOYSA-N
XLogP5.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-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 N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine (CID 89248882) is N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine is Clc1cc(Cl)cc(SNc2cccc3c2CCN3c2ncccn2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine?
The InChIKey is VORGOWIMASGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4S/c19-12-9-13(20)11-14(10-12)25-23-16-3-1-4-17-15(16)5-8-24(17)18-21-6-2-7-22-18/h1-4,6-7,9-11,23H,5,8H2.
What are the key properties of N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine?
N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine has a molecular weight of 389.31 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine is sourced from PubChem (CID 89248882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).