6-nitro-3-phenylsulfanyl-1H-indole

C14H10N2O2S — CID 138969834

IUPAC6-nitro-3-phenylsulfanyl-1H-indole
SMILESO=[N+]([O-])c1ccc2c(Sc3ccccc3)c[nH]c2c1
InChIInChI=1S/C14H10N2O2S/c17-16(18)10-6-7-12-13(8-10)15-9-14(12)19-11-4-2-1-3-5-11/h1-9,15H
InChIKeyBJRQLGZVEPTUSF-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.23
Rot. Bonds3

About 6-nitro-3-phenylsulfanyl-1H-indole

6-nitro-3-phenylsulfanyl-1H-indole (PubChem CID 138969834) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-nitro-3-phenylsulfanyl-1H-indole.

Molecular Properties

Compound Name6-nitro-3-phenylsulfanyl-1H-indole
PubChem CID138969834
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name6-nitro-3-phenylsulfanyl-1H-indole
SMILESO=[N+]([O-])c1ccc2c(Sc3ccccc3)c[nH]c2c1
InChIInChI=1S/C14H10N2O2S/c17-16(18)10-6-7-12-13(8-10)15-9-14(12)19-11-4-2-1-3-5-11/h1-9,15H
InChIKeyBJRQLGZVEPTUSF-UHFFFAOYSA-N
XLogP4.23
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-nitro-3-phenylsulfanyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Nitro-1H-indole
CID 78502
6-Nitrogramine
CID 23385
4-Nitro-1H-indole
CID 145766
2-((1H-indol-3-yl)thio)aniline
CID 693281
4-(4,6-dinitro-1H-indol-1-ylsulfonyl)benzenamine
CID 44405257
3-(thiophen-3-yl)-1H-indol-6-amine
CID 44410875
4-[6-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388953
4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-indole
CID 2729520
3-Thiocyanatoindole
CID 286536
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778
1H-Indole, 3-(ethenylthio)-
CID 51080
2-(1H-Indol-3-ylsulfanyl)-ethylamine
CID 2049518

Frequently Asked Questions

What is the IUPAC name of 6-nitro-3-phenylsulfanyl-1H-indole?
The IUPAC name of 6-nitro-3-phenylsulfanyl-1H-indole (CID 138969834) is 6-nitro-3-phenylsulfanyl-1H-indole.
What is the SMILES notation for 6-nitro-3-phenylsulfanyl-1H-indole?
The canonical SMILES for 6-nitro-3-phenylsulfanyl-1H-indole is O=[N+]([O-])c1ccc2c(Sc3ccccc3)c[nH]c2c1.
What is the InChIKey of 6-nitro-3-phenylsulfanyl-1H-indole?
The InChIKey is BJRQLGZVEPTUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-16(18)10-6-7-12-13(8-10)15-9-14(12)19-11-4-2-1-3-5-11/h1-9,15H.
What are the key properties of 6-nitro-3-phenylsulfanyl-1H-indole?
6-nitro-3-phenylsulfanyl-1H-indole has a molecular weight of 270.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3-phenylsulfanyl-1H-indole is sourced from PubChem (CID 138969834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).