6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide

C15H13Cl2N3O4S — CID 166255891

IUPAC6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc21
InChIInChI=1S/C15H13Cl2N3O4S/c16-9-5-11(17)14(21)13(6-9)25(23,24)19-10-2-1-8-3-4-20(15(18)22)12(8)7-10/h1-2,5-7,19,21H,3-4H2,(H2,18,22)
InChIKeyFEBBEEKWSFTQDP-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.94
Rot. Bonds3

About 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide

6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide (PubChem CID 166255891) has the molecular formula C15H13Cl2N3O4S and a molecular weight of 402.26 g/mol. Its IUPAC name is 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide
PubChem CID166255891
Molecular FormulaC15H13Cl2N3O4S
Molecular Weight402.26 g/mol
Exact Mass401.00
IUPAC Name6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc21
InChIInChI=1S/C15H13Cl2N3O4S/c16-9-5-11(17)14(21)13(6-9)25(23,24)19-10-2-1-8-3-4-20(15(18)22)12(8)7-10/h1-2,5-7,19,21H,3-4H2,(H2,18,22)
InChIKeyFEBBEEKWSFTQDP-UHFFFAOYSA-N
XLogP2.94
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide (CID 166255891) is 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide is NC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc21.
What is the InChIKey of 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is FEBBEEKWSFTQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4S/c16-9-5-11(17)14(21)13(6-9)25(23,24)19-10-2-1-8-3-4-20(15(18)22)12(8)7-10/h1-2,5-7,19,21H,3-4H2,(H2,18,22).
What are the key properties of 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide?
6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 402.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 166255891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).