N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

C16H15ClFN3O3S — CID 17407802

IUPACN-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFN3O3S/c17-11-1-3-13(18)14(8-11)20-16(22)9-21-6-5-10-7-12(25(19,23)24)2-4-15(10)21/h1-4,7-8H,5-6,9H2,(H,20,22)(H2,19,23,24)
InChIKeyNKDDEORNZKXJPU-UHFFFAOYSA-N
MW383.83 g/mol
LogP2.13
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 17407802) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID17407802
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFN3O3S/c17-11-1-3-13(18)14(8-11)20-16(22)9-21-6-5-10-7-12(25(19,23)24)2-4-15(10)21/h1-4,7-8H,5-6,9H2,(H,20,22)(H2,19,23,24)
InChIKeyNKDDEORNZKXJPU-UHFFFAOYSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (CID 17407802) is N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is NKDDEORNZKXJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c17-11-1-3-13(18)14(8-11)20-16(22)9-21-6-5-10-7-12(25(19,23)24)2-4-15(10)21/h1-4,7-8H,5-6,9H2,(H,20,22)(H2,19,23,24).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 383.83 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 17407802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).