4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide

C20H16N2O4S2 — CID 127025296

IUPAC4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N2O4S2/c21-27(23,24)16-12-10-15(11-13-16)19-14-22(20-9-5-4-8-18(19)20)28(25,26)17-6-2-1-3-7-17/h1-14H,(H2,21,23,24)
InChIKeyCDICELDQWHDLPU-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.19
Rot. Bonds4

About 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide

4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide (PubChem CID 127025296) has the molecular formula C20H16N2O4S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide
PubChem CID127025296
Molecular FormulaC20H16N2O4S2
Molecular Weight412.49 g/mol
Exact Mass412.06
IUPAC Name4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N2O4S2/c21-27(23,24)16-12-10-15(11-13-16)19-14-22(20-9-5-4-8-18(19)20)28(25,26)17-6-2-1-3-7-17/h1-14H,(H2,21,23,24)
InChIKeyCDICELDQWHDLPU-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

Analyze 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide (CID 127025296) is 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide?
The InChIKey is CDICELDQWHDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S2/c21-27(23,24)16-12-10-15(11-13-16)19-14-22(20-9-5-4-8-18(19)20)28(25,26)17-6-2-1-3-7-17/h1-14H,(H2,21,23,24).
What are the key properties of 4-[1-(benzenesulfonyl)indol-3-yl]benzenesulfonamide?
4-[1-(benzenesulfonyl)indol-3-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-3-yl]benzenesulfonamide is sourced from PubChem (CID 127025296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).