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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Related Compounds

5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
CID 155552818
4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide
CID 146135406
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole
CID 155533892
4-[4-[(2-cyanophenoxy)methyl]triazol-1-yl]benzenesulfonamide
CID 167745926
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
4-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzene-1,4-disulfonamide
CID 121196183
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
4-[4-[[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfonylmethyl]triazol-1-yl]benzenesulfonamide
CID 86579654
1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
CID 56792914

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).