1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

C16H13Cl3N2O4S — CID 27316873

IUPAC1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O4S/c17-11-6-13(19)15(7-12(11)18)25-8-16(22)21-4-3-9-5-10(26(20,23)24)1-2-14(9)21/h1-2,5-7H,3-4,8H2,(H2,20,23,24)
InChIKeyKWNRSMOPMRATHM-UHFFFAOYSA-N
MW435.72 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 27316873) has the molecular formula C16H13Cl3N2O4S and a molecular weight of 435.72 g/mol. Its IUPAC name is 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID27316873
Molecular FormulaC16H13Cl3N2O4S
Molecular Weight435.72 g/mol
Exact Mass433.97
IUPAC Name1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O4S/c17-11-6-13(19)15(7-12(11)18)25-8-16(22)21-4-3-9-5-10(26(20,23)24)1-2-14(9)21/h1-2,5-7H,3-4,8H2,(H2,20,23,24)
InChIKeyKWNRSMOPMRATHM-UHFFFAOYSA-N
XLogP3.26
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934781
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 19164445
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 17497175
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
CID 27309776

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 27316873) is 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KWNRSMOPMRATHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O4S/c17-11-6-13(19)15(7-12(11)18)25-8-16(22)21-4-3-9-5-10(26(20,23)24)1-2-14(9)21/h1-2,5-7H,3-4,8H2,(H2,20,23,24).
What are the key properties of 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 435.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 27316873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).