(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate

C17H16N2O5S — CID 26527621

IUPAC(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C(N)=O)ccc21
InChIInChI=1S/C17H16N2O5S/c1-11(20)19-9-8-12-10-13(6-7-15(12)19)25(22,23)24-16-5-3-2-4-14(16)17(18)21/h2-7,10H,8-9H2,1H3,(H2,18,21)
InChIKeyDHGLXNQGQYUAPS-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.46
Rot. Bonds4

About (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate

(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate (PubChem CID 26527621) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate.

Molecular Properties

Compound Name(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
PubChem CID26527621
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C(N)=O)ccc21
InChIInChI=1S/C17H16N2O5S/c1-11(20)19-9-8-12-10-13(6-7-15(12)19)25(22,23)24-16-5-3-2-4-14(16)17(18)21/h2-7,10H,8-9H2,1H3,(H2,18,21)
InChIKeyDHGLXNQGQYUAPS-UHFFFAOYSA-N
XLogP1.46
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2-phenylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526977
(2-chloro-4-fluorophenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26527276
(4-methylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526945
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
(3-fluorophenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 51544824
[2-[(2R)-butan-2-yl]phenyl] 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 26528535
(4-cyanophenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526965
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate?
The IUPAC name of (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate (CID 26527621) is (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate.
What is the SMILES notation for (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate?
The canonical SMILES for (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate is CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C(N)=O)ccc21.
What is the InChIKey of (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate?
The InChIKey is DHGLXNQGQYUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11(20)19-9-8-12-10-13(6-7-15(12)19)25(22,23)24-16-5-3-2-4-14(16)17(18)21/h2-7,10H,8-9H2,1H3,(H2,18,21).
What are the key properties of (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate?
(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate has a molecular weight of 360.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate is sourced from PubChem (CID 26527621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).