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

C21H20N2O5S2 — CID 24993537

IUPACN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1
InChIInChI=1S/C21H20N2O5S2/c1-28-17-10-12-19(13-11-17)30(26,27)23-15-14-16-6-5-9-20(21(16)23)22-29(24,25)18-7-3-2-4-8-18/h2-13,22H,14-15H2,1H3
InChIKeyGWIJZIIWCABAJC-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.25
Rot. Bonds6

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

N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide (PubChem CID 24993537) has the molecular formula C21H20N2O5S2 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
PubChem CID24993537
Molecular FormulaC21H20N2O5S2
Molecular Weight444.53 g/mol
Exact Mass444.08
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1
InChIInChI=1S/C21H20N2O5S2/c1-28-17-10-12-19(13-11-17)30(26,27)23-15-14-16-6-5-9-20(21(16)23)22-29(24,25)18-7-3-2-4-8-18/h2-13,22H,14-15H2,1H3
InChIKeyGWIJZIIWCABAJC-UHFFFAOYSA-N
XLogP3.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide (CID 24993537) is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
The InChIKey is GWIJZIIWCABAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S2/c1-28-17-10-12-19(13-11-17)30(26,27)23-15-14-16-6-5-9-20(21(16)23)22-29(24,25)18-7-3-2-4-8-18/h2-13,22H,14-15H2,1H3.
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide has a molecular weight of 444.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide is sourced from PubChem (CID 24993537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).