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

C23H22FN3O2S2 — CID 74372849

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(Sc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H22FN3O2S2/c1-16(26-31(2,28)29)23(17-6-4-3-5-7-17)30-21-12-13-22-18(14-21)15-25-27(22)20-10-8-19(24)9-11-20/h3-16,23,26H,1-2H3
InChIKeyZMUKIJGOSZRSPH-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.94
Rot. Bonds7

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

N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide (PubChem CID 74372849) has the molecular formula C23H22FN3O2S2 and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide
PubChem CID74372849
Molecular FormulaC23H22FN3O2S2
Molecular Weight455.58 g/mol
Exact Mass455.11
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(Sc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H22FN3O2S2/c1-16(26-31(2,28)29)23(17-6-4-3-5-7-17)30-21-12-13-22-18(14-21)15-25-27(22)20-10-8-19(24)9-11-20/h3-16,23,26H,1-2H3
InChIKeyZMUKIJGOSZRSPH-UHFFFAOYSA-N
XLogP4.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide (CID 74372849) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(Sc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide?
The InChIKey is ZMUKIJGOSZRSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S2/c1-16(26-31(2,28)29)23(17-6-4-3-5-7-17)30-21-12-13-22-18(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]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 74372849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).