3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide

C25H20N4O3S — CID 10027072

IUPAC3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C25H20N4O3S/c1-16-5-6-19(25(30)28-21-8-9-21)13-23(16)18-7-10-24-20(12-18)15-27-29(24)33(31,32)22-4-2-3-17(11-22)14-26/h2-7,10-13,15,21H,8-9H2,1H3,(H,28,30)
InChIKeyZTXPDAWXEWQRLS-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.01
Rot. Bonds5

About 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 10027072) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID10027072
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C25H20N4O3S/c1-16-5-6-19(25(30)28-21-8-9-21)13-23(16)18-7-10-24-20(12-18)15-27-29(24)33(31,32)22-4-2-3-17(11-22)14-26/h2-7,10-13,15,21H,8-9H2,1H3,(H,28,30)
InChIKeyZTXPDAWXEWQRLS-UHFFFAOYSA-N
XLogP4.01
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide (CID 10027072) is 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is ZTXPDAWXEWQRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-16-5-6-19(25(30)28-21-8-9-21)13-23(16)18-7-10-24-20(12-18)15-27-29(24)33(31,32)22-4-2-3-17(11-22)14-26/h2-7,10-13,15,21H,8-9H2,1H3,(H,28,30).
What are the key properties of 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 456.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 10027072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).