3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide

C17H15N3O3S — CID 57049792

IUPAC3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]cc(C=C3c4ccccc4NC3O)c2c1
InChIInChI=1S/C17H15N3O3S/c18-24(22,23)11-5-6-15-13(8-11)10(9-19-15)7-14-12-3-1-2-4-16(12)20-17(14)21/h1-9,17,19-21H,(H2,18,22,23)
InChIKeyZVTFGQYLJMNZSM-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.10
Rot. Bonds2

About 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide

3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide (PubChem CID 57049792) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide
PubChem CID57049792
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]cc(C=C3c4ccccc4NC3O)c2c1
InChIInChI=1S/C17H15N3O3S/c18-24(22,23)11-5-6-15-13(8-11)10(9-19-15)7-14-12-3-1-2-4-16(12)20-17(14)21/h1-9,17,19-21H,(H2,18,22,23)
InChIKeyZVTFGQYLJMNZSM-UHFFFAOYSA-N
XLogP2.10
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol
CID 57154341
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile
CID 69351268
3-[(5-amino-1H-indol-3-yl)methylidene]-1-benzofuran-2-one
CID 54568576
(3Z)-3-(1,3-thiazol-4-ylmethylidene)-1,2-dihydroindol-2-ol
CID 140977899
4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578901
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
CID 6977120
3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 69455728
(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 11164464
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
2-[(5-fluoro-1H-indol-3-yl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 67027890
6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide
CID 123870107

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide (CID 57049792) is 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2[nH]cc(C=C3c4ccccc4NC3O)c2c1.
What is the InChIKey of 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide?
The InChIKey is ZVTFGQYLJMNZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c18-24(22,23)11-5-6-15-13(8-11)10(9-19-15)7-14-12-3-1-2-4-16(12)20-17(14)21/h1-9,17,19-21H,(H2,18,22,23).
What are the key properties of 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide?
3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide has a molecular weight of 341.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 57049792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).