N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine

C15H9Cl2F3N2S — CID 89080205

IUPACN-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine
SMILESFC(F)(F)c1c[nH]c2ccc(NSc3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C15H9Cl2F3N2S/c16-8-3-9(17)5-11(4-8)23-22-10-1-2-14-12(6-10)13(7-21-14)15(18,19)20/h1-7,21-22H
InChIKeyWCIQYMTYQCQOFX-UHFFFAOYSA-N
MW377.22 g/mol
LogP6.61
Rot. Bonds3

About N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine

N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine (PubChem CID 89080205) has the molecular formula C15H9Cl2F3N2S and a molecular weight of 377.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine
PubChem CID89080205
Molecular FormulaC15H9Cl2F3N2S
Molecular Weight377.22 g/mol
Exact Mass375.98
IUPAC NameN-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine
SMILESFC(F)(F)c1c[nH]c2ccc(NSc3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C15H9Cl2F3N2S/c16-8-3-9(17)5-11(4-8)23-22-10-1-2-14-12(6-10)13(7-21-14)15(18,19)20/h1-7,21-22H
InChIKeyWCIQYMTYQCQOFX-UHFFFAOYSA-N
XLogP6.61
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.22
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine?
The IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine (CID 89080205) is N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine is FC(F)(F)c1c[nH]c2ccc(NSc3cc(Cl)cc(Cl)c3)cc12.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine?
The InChIKey is WCIQYMTYQCQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2S/c16-8-3-9(17)5-11(4-8)23-22-10-1-2-14-12(6-10)13(7-21-14)15(18,19)20/h1-7,21-22H.
What are the key properties of N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine?
N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine has a molecular weight of 377.22 g/mol, XLogP of 6.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfanyl-3-(trifluoromethyl)-1H-indol-5-amine is sourced from PubChem (CID 89080205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).