4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide

C20H16N2O4S2 — CID 127037881

IUPAC4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O4S2/c21-27(23,24)17-12-10-15(11-13-17)20-14-16-6-4-5-9-19(16)22(20)28(25,26)18-7-2-1-3-8-18/h1-14H,(H2,21,23,24)
InChIKeyDJUZPQGODHKWNH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.19
Rot. Bonds4

About 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide

4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide (PubChem CID 127037881) has the molecular formula C20H16N2O4S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide
PubChem CID127037881
Molecular FormulaC20H16N2O4S2
Molecular Weight412.49 g/mol
Exact Mass412.06
IUPAC Name4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O4S2/c21-27(23,24)17-12-10-15(11-13-17)20-14-16-6-4-5-9-19(16)22(20)28(25,26)18-7-2-1-3-8-18/h1-14H,(H2,21,23,24)
InChIKeyDJUZPQGODHKWNH-UHFFFAOYSA-N
XLogP3.19
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide (CID 127037881) is 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide?
The InChIKey is DJUZPQGODHKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S2/c21-27(23,24)17-12-10-15(11-13-17)20-14-16-6-4-5-9-19(16)22(20)28(25,26)18-7-2-1-3-8-18/h1-14H,(H2,21,23,24).
What are the key properties of 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide?
4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide has a molecular weight of 412.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-2-yl]benzenesulfonamide is sourced from PubChem (CID 127037881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).