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

C23H22FN3O4S2 — CID 66688420

IUPACN-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)[C@H](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/t16-,23+/m0/s1
InChIKeyHMPUHLHUHRIVHS-QMHKHESXSA-N
MW487.58 g/mol
LogP3.62
Rot. Bonds7

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

N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide (PubChem CID 66688420) has the molecular formula C23H22FN3O4S2 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide
PubChem CID66688420
Molecular FormulaC23H22FN3O4S2
Molecular Weight487.58 g/mol
Exact Mass487.10
IUPAC NameN-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)[C@H](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/t16-,23+/m0/s1
InChIKeyHMPUHLHUHRIVHS-QMHKHESXSA-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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Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73349253
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-[2-[1-(4-Fluorophenyl)indazol-4-yl]sulfanyl-1-methylethyl]-2,4,6-trimethyl-benzenesulfonamide
CID 16665605
N-[1-[1-(4-fluorophenyl)indazol-4-yl]sulfonylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665606
N-[(2S)-4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665608
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]cyclopropanesulfonamide
CID 59251186
4-[1-(4-fluorophenyl)indazol-5-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 46831400
N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46831696
4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 46831698

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide (CID 66688420) is N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide is C[C@H](NS(C)(=O)=O)[C@H](c1ccccc1)S(=O)(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
The InChIKey is HMPUHLHUHRIVHS-QMHKHESXSA-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/t16-,23+/m0/s1.
What are the key properties of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide?
N-[(1S,2S)-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-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfonyl-1-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 66688420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).