2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate

C15H13N3O3S — CID 141002200

IUPAC2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate
SMILESO=S(=O)(ON1CCc2ccccc21)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H13N3O3S/c19-22(20,12-5-6-13-14(9-12)17-10-16-13)21-18-8-7-11-3-1-2-4-15(11)18/h1-6,9-10H,7-8H2,(H,16,17)
InChIKeySRZFNZCGHYDDLG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.25
Rot. Bonds3

About 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate

2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate (PubChem CID 141002200) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate
PubChem CID141002200
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate
SMILESO=S(=O)(ON1CCc2ccccc21)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H13N3O3S/c19-22(20,12-5-6-13-14(9-12)17-10-16-13)21-18-8-7-11-3-1-2-4-15(11)18/h1-6,9-10H,7-8H2,(H,16,17)
InChIKeySRZFNZCGHYDDLG-UHFFFAOYSA-N
XLogP2.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate?
The IUPAC name of 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate (CID 141002200) is 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate.
What is the SMILES notation for 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate?
The canonical SMILES for 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate is O=S(=O)(ON1CCc2ccccc21)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate?
The InChIKey is SRZFNZCGHYDDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-22(20,12-5-6-13-14(9-12)17-10-16-13)21-18-8-7-11-3-1-2-4-15(11)18/h1-6,9-10H,7-8H2,(H,16,17).
What are the key properties of 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate?
2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate has a molecular weight of 315.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate is sourced from PubChem (CID 141002200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).