1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole

C17H17N5O2S — CID 5298304

IUPAC1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17N5O2S/c1-12-9-15(21-11-18-19-20-21)10-13(2)17(12)25(23,24)22-8-7-14-5-3-4-6-16(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCFECRYBCIATKNZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.03
Rot. Bonds3

About 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole

1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 5298304) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID5298304
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17N5O2S/c1-12-9-15(21-11-18-19-20-21)10-13(2)17(12)25(23,24)22-8-7-14-5-3-4-6-16(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCFECRYBCIATKNZ-UHFFFAOYSA-N
XLogP2.03
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole (CID 5298304) is 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole is Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is CFECRYBCIATKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-12-9-15(21-11-18-19-20-21)10-13(2)17(12)25(23,24)22-8-7-14-5-3-4-6-16(14)22/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole?
1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 355.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 5298304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).