N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide

C23H22FN3O4S2 — CID 74372850

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1ccccc1)S(=O)(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H22FN3O4S2/c1-16(26-32(2,28)29)23(17-6-4-3-5-7-17)33(30,31)21-12-13-22-18(14-21)15-25-27(22)20-10-8-19(24)9-11-20/h3-16,23,26H,1-2H3
InChIKeyHMPUHLHUHRIVHS-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.62
Rot. Bonds7

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide (PubChem CID 74372850) has the molecular formula C23H22FN3O4S2 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide
PubChem CID74372850
Molecular FormulaC23H22FN3O4S2
Molecular Weight487.58 g/mol
Exact Mass487.10
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1ccccc1)S(=O)(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H22FN3O4S2/c1-16(26-32(2,28)29)23(17-6-4-3-5-7-17)33(30,31)21-12-13-22-18(14-21)15-25-27(22)20-10-8-19(24)9-11-20/h3-16,23,26H,1-2H3
InChIKeyHMPUHLHUHRIVHS-UHFFFAOYSA-N
XLogP3.62
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide (CID 74372850) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(c1ccccc1)S(=O)(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
The InChIKey is HMPUHLHUHRIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S2/c1-16(26-32(2,28)29)23(17-6-4-3-5-7-17)33(30,31)21-12-13-22-18(14-21)15-25-27(22)20-10-8-19(24)9-11-20/h3-16,23,26H,1-2H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 74372850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).