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'}

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Related Compounds

3,5-dichloro-N-(4-pyrimidin-5-ylphenyl)benzenesulfonamide
CID 72547285
3,5-dichloro-N-(4-pyrimidin-2-ylphenyl)benzenesulfonamide
CID 72547284
4-[1-(2,4-Dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737108
7-Cyclopentyl-5-[4-[(3,5-dichlorophenyl)sulfanylamino]-3-fluorophenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142967902
N-[5-chloro-4-[(4,5-difluoro-3,3-dimethyl-2H-indol-1-yl)methyl]-2-fluorophenyl]sulfanyl-5-fluoropyrimidin-2-amine
CID 145181728
2-[4-[(5-Chloro-2-fluorophenyl)sulfanylamino]phenyl]-5-[2-(dimethylamino)ethanimidoyl]pyrimidin-4-amine
CID 164580992
2-[4-[(5-Chloro-2-fluorophenyl)sulfanylamino]phenyl]-5-[3-(dimethylamino)propanimidoyl]pyrimidin-4-amine
CID 170721800
5-Chloro-1-(3,5-dichlorophenyl)sulfonyl-2-pyrimidin-5-ylindole
CID 146604352
N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902195
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902247
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112902306
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112904148

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).