4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide

C17H17N5O2S — CID 134824244

IUPAC4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C17H17N5O2S/c18-25(23,24)16-7-5-15(6-8-16)22-12-14(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2,(H2,18,23,24)
InChIKeyCSQLPGVVVSRWHL-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.48
Rot. Bonds4

About 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide

4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide (PubChem CID 134824244) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide
PubChem CID134824244
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C17H17N5O2S/c18-25(23,24)16-7-5-15(6-8-16)22-12-14(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2,(H2,18,23,24)
InChIKeyCSQLPGVVVSRWHL-UHFFFAOYSA-N
XLogP1.48
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide (CID 134824244) is 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1.
What is the InChIKey of 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is CSQLPGVVVSRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c18-25(23,24)16-7-5-15(6-8-16)22-12-14(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2,(H2,18,23,24).
What are the key properties of 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide?
4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydroindol-1-ylmethyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 134824244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).