3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide

C16H12Cl2FN3OS — CID 164877481

IUPAC3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cccc(SNc2ccc(Cl)c3c(Cl)c[nH]c23)c1F
InChIInChI=1S/C16H12Cl2FN3OS/c1-20-16(23)8-3-2-4-12(14(8)19)24-22-11-6-5-9(17)13-10(18)7-21-15(11)13/h2-7,21-22H,1H3,(H,20,23)
InChIKeyGBGXTHZCDCMOBP-UHFFFAOYSA-N
MW384.26 g/mol
LogP5.09
Rot. Bonds4

About 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide

3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide (PubChem CID 164877481) has the molecular formula C16H12Cl2FN3OS and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide
PubChem CID164877481
Molecular FormulaC16H12Cl2FN3OS
Molecular Weight384.26 g/mol
Exact Mass383.01
IUPAC Name3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cccc(SNc2ccc(Cl)c3c(Cl)c[nH]c23)c1F
InChIInChI=1S/C16H12Cl2FN3OS/c1-20-16(23)8-3-2-4-12(14(8)19)24-22-11-6-5-9(17)13-10(18)7-21-15(11)13/h2-7,21-22H,1H3,(H,20,23)
InChIKeyGBGXTHZCDCMOBP-UHFFFAOYSA-N
XLogP5.09
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide 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

3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-[2-(1-methylazetidin-3-yl)ethyl]benzamide
CID 164877450
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-2-fluorobenzoic acid;ethane
CID 164877611
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-fluorobenzamide
CID 164877763
N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide
CID 164863473
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide
CID 67018379
3,4-dichloro-N-[4-[6-(methylamino)hexoxy]phenyl]sulfanyl-1H-indol-7-amine
CID 164877744
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
CID 164877791
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-2-fluoro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 164877708
[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite
CID 164863462
3,4-dichloro-N-[4-(3-methylbutoxy)phenyl]sulfanyl-1H-indol-7-amine
CID 164877569
trifluoro-[2-fluoro-3-(methylcarbamoyl)phenyl]boranuide
CID 91659200
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide?
The IUPAC name of 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide (CID 164877481) is 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide is CNC(=O)c1cccc(SNc2ccc(Cl)c3c(Cl)c[nH]c23)c1F.
What is the InChIKey of 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide?
The InChIKey is GBGXTHZCDCMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3OS/c1-20-16(23)8-3-2-4-12(14(8)19)24-22-11-6-5-9(17)13-10(18)7-21-15(11)13/h2-7,21-22H,1H3,(H,20,23).
What are the key properties of 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide?
3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide has a molecular weight of 384.26 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 164877481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).