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

C24H20FN3O3S — CID 10072401

IUPACN-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O3S/c1-15-2-3-17(24(29)27-20-7-8-20)13-22(15)16-4-11-23-18(12-16)14-26-28(23)32(30,31)21-9-5-19(25)6-10-21/h2-6,9-14,20H,7-8H2,1H3,(H,27,29)
InChIKeyVFVJBKOJEDWHAJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.28
Rot. Bonds5

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

N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide (PubChem CID 10072401) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
PubChem CID10072401
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O3S/c1-15-2-3-17(24(29)27-20-7-8-20)13-22(15)16-4-11-23-18(12-16)14-26-28(23)32(30,31)21-9-5-19(25)6-10-21/h2-6,9-14,20H,7-8H2,1H3,(H,27,29)
InChIKeyVFVJBKOJEDWHAJ-UHFFFAOYSA-N
XLogP4.28
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide (CID 10072401) is N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
The InChIKey is VFVJBKOJEDWHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-15-2-3-17(24(29)27-20-7-8-20)13-22(15)16-4-11-23-18(12-16)14-26-28(23)32(30,31)21-9-5-19(25)6-10-21/h2-6,9-14,20H,7-8H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide has a molecular weight of 449.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 10072401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).