4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide

C19H17N3O4S2 — CID 66757544

IUPAC4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3cccc(-c4ccncc4)c32)cc1
InChIInChI=1S/C19H17N3O4S2/c20-27(23,24)16-4-6-17(7-5-16)28(25,26)22-13-10-15-2-1-3-18(19(15)22)14-8-11-21-12-9-14/h1-9,11-12H,10,13H2,(H2,20,23,24)
InChIKeyFTQXHWISKFTGLU-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.15
Rot. Bonds4

About 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide

4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide (PubChem CID 66757544) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
PubChem CID66757544
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3cccc(-c4ccncc4)c32)cc1
InChIInChI=1S/C19H17N3O4S2/c20-27(23,24)16-4-6-17(7-5-16)28(25,26)22-13-10-15-2-1-3-18(19(15)22)14-8-11-21-12-9-14/h1-9,11-12H,10,13H2,(H2,20,23,24)
InChIKeyFTQXHWISKFTGLU-UHFFFAOYSA-N
XLogP2.15
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
The IUPAC name of 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide (CID 66757544) is 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide.
What is the SMILES notation for 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
The canonical SMILES for 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3cccc(-c4ccncc4)c32)cc1.
What is the InChIKey of 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
The InChIKey is FTQXHWISKFTGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c20-27(23,24)16-4-6-17(7-5-16)28(25,26)22-13-10-15-2-1-3-18(19(15)22)14-8-11-21-12-9-14/h1-9,11-12H,10,13H2,(H2,20,23,24).
What are the key properties of 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide has a molecular weight of 415.50 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-pyridin-4-yl-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide is sourced from PubChem (CID 66757544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).