1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole

C28H24N2O5S2 — CID 91670097

IUPAC1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C28H24N2O5S2/c31-36(32,29-19-17-21-5-1-3-7-27(21)29)25-13-9-23(10-14-25)35-24-11-15-26(16-12-24)37(33,34)30-20-18-22-6-2-4-8-28(22)30/h1-16H,17-20H2
InChIKeyWHUURQWXBMOHFV-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.98
Rot. Bonds6

About 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole

1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 91670097) has the molecular formula C28H24N2O5S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
PubChem CID91670097
Molecular FormulaC28H24N2O5S2
Molecular Weight532.64 g/mol
Exact Mass532.11
IUPAC Name1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C28H24N2O5S2/c31-36(32,29-19-17-21-5-1-3-7-27(21)29)25-13-9-23(10-14-25)35-24-11-15-26(16-12-24)37(33,34)30-20-18-22-6-2-4-8-28(22)30/h1-16H,17-20H2
InChIKeyWHUURQWXBMOHFV-UHFFFAOYSA-N
XLogP4.98
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
CID 4512362

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole (CID 91670097) is 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is WHUURQWXBMOHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5S2/c31-36(32,29-19-17-21-5-1-3-7-27(21)29)25-13-9-23(10-14-25)35-24-11-15-26(16-12-24)37(33,34)30-20-18-22-6-2-4-8-28(22)30/h1-16H,17-20H2.
What are the key properties of 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole?
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 532.64 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 91670097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).