1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide

C21H20N4O4S2 — CID 67042614

IUPAC1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide
SMILESNS(=O)(=O)C(CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C21H20N4O4S2/c22-31(28,29)20(15-7-3-1-4-8-15)14-30(26,27)25-17-11-12-19-18(13-17)21(24-23-19)16-9-5-2-6-10-16/h1-13,20,25H,14H2,(H,23,24)(H2,22,28,29)
InChIKeySDDFFUSXRNQBST-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.00
Rot. Bonds7

About 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide

1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide (PubChem CID 67042614) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide.

Molecular Properties

Compound Name1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide
PubChem CID67042614
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC Name1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide
SMILESNS(=O)(=O)C(CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C21H20N4O4S2/c22-31(28,29)20(15-7-3-1-4-8-15)14-30(26,27)25-17-11-12-19-18(13-17)21(24-23-19)16-9-5-2-6-10-16/h1-13,20,25H,14H2,(H,23,24)(H2,22,28,29)
InChIKeySDDFFUSXRNQBST-UHFFFAOYSA-N
XLogP3.00
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide?
The IUPAC name of 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide (CID 67042614) is 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide.
What is the SMILES notation for 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide?
The canonical SMILES for 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide is NS(=O)(=O)C(CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccccc1.
What is the InChIKey of 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide?
The InChIKey is SDDFFUSXRNQBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c22-31(28,29)20(15-7-3-1-4-8-15)14-30(26,27)25-17-11-12-19-18(13-17)21(24-23-19)16-9-5-2-6-10-16/h1-13,20,25H,14H2,(H,23,24)(H2,22,28,29).
What are the key properties of 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide?
1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide has a molecular weight of 456.55 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(3-phenyl-1H-indazol-5-yl)ethane-1,2-disulfonamide is sourced from PubChem (CID 67042614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).