4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide

C20H21N3O4S2 — CID 4082241

IUPAC4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4S2/c21-28(24,25)18-13-11-17(12-14-18)23-20(16-7-3-1-4-8-16)15-22-29(26,27)19-9-5-2-6-10-19/h1-14,20,22-23H,15H2,(H2,21,24,25)
InChIKeyABDVZMQOAMHLTF-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.47
Rot. Bonds8

About 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide

4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide (PubChem CID 4082241) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide
PubChem CID4082241
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4S2/c21-28(24,25)18-13-11-17(12-14-18)23-20(16-7-3-1-4-8-16)15-22-29(26,27)19-9-5-2-6-10-19/h1-14,20,22-23H,15H2,(H2,21,24,25)
InChIKeyABDVZMQOAMHLTF-UHFFFAOYSA-N
XLogP2.47
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide (CID 4082241) is 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide?
The InChIKey is ABDVZMQOAMHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c21-28(24,25)18-13-11-17(12-14-18)23-20(16-7-3-1-4-8-16)15-22-29(26,27)19-9-5-2-6-10-19/h1-14,20,22-23H,15H2,(H2,21,24,25).
What are the key properties of 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide?
4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide has a molecular weight of 431.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzenesulfonamide is sourced from PubChem (CID 4082241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).