2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol

C17H16Cl2N2OS — CID 123954599

IUPAC2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol
SMILESCCCSc1ccc(Cl)cc1C1(O)C(N)=Nc2ccc(Cl)cc21
InChIInChI=1S/C17H16Cl2N2OS/c1-2-7-23-15-6-4-11(19)9-13(15)17(22)12-8-10(18)3-5-14(12)21-16(17)20/h3-6,8-9,22H,2,7H2,1H3,(H2,20,21)
InChIKeyMJMUETIGZMGDET-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.73
Rot. Bonds4

About 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol

2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol (PubChem CID 123954599) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol.

Molecular Properties

Compound Name2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol
PubChem CID123954599
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol
SMILESCCCSc1ccc(Cl)cc1C1(O)C(N)=Nc2ccc(Cl)cc21
InChIInChI=1S/C17H16Cl2N2OS/c1-2-7-23-15-6-4-11(19)9-13(15)17(22)12-8-10(18)3-5-14(12)21-16(17)20/h3-6,8-9,22H,2,7H2,1H3,(H2,20,21)
InChIKeyMJMUETIGZMGDET-UHFFFAOYSA-N
XLogP4.73
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol
CID 123157205
1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine
CID 82264654
ethyl 5-chloro-2-propylsulfanylbenzoate
CID 82553574
2-(4-chloro-2-propylsulfanylphenyl)ethanamine
CID 114865787
5-chloro-2-nonylsulfanylaniline
CID 43129563
4-(5-chloro-2-propylsulfanylphenyl)butanoic acid
CID 82264644
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
ethane;2-propylsulfanylaniline
CID 143337712
2-(2-butylsulfanyl-5-chlorophenyl)ethanamine
CID 114866234
5-chloro-4-propylsulfanylpyridin-2-amine
CID 23438752
methyl 4-(5-chloro-2-propylsulfanylphenyl)-4-oxobutanoate
CID 82553568
ethyl 3-(2-amino-4-chlorophenyl)sulfanylpropanoate
CID 61319245

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol?
The IUPAC name of 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol (CID 123954599) is 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol.
What is the SMILES notation for 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol?
The canonical SMILES for 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol is CCCSc1ccc(Cl)cc1C1(O)C(N)=Nc2ccc(Cl)cc21.
What is the InChIKey of 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol?
The InChIKey is MJMUETIGZMGDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c1-2-7-23-15-6-4-11(19)9-13(15)17(22)12-8-10(18)3-5-14(12)21-16(17)20/h3-6,8-9,22H,2,7H2,1H3,(H2,20,21).
What are the key properties of 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol?
2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol has a molecular weight of 367.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol is sourced from PubChem (CID 123954599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).