N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide

C23H23FN4O2S — CID 69088640

IUPACN-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CNc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23FN4O2S/c1-2-19(27-31(29,30)22-6-4-3-5-7-22)16-25-20-10-13-23-17(14-20)15-26-28(23)21-11-8-18(24)9-12-21/h3-15,19,25,27H,2,16H2,1H3/t19-/m0/s1
InChIKeyJIPKBEPIDDJMDI-IBGZPJMESA-N
MW438.53 g/mol
LogP4.33
Rot. Bonds8

About N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide

N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide (PubChem CID 69088640) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide
PubChem CID69088640
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC NameN-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CNc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23FN4O2S/c1-2-19(27-31(29,30)22-6-4-3-5-7-22)16-25-20-10-13-23-17(14-20)15-26-28(23)21-11-8-18(24)9-12-21/h3-15,19,25,27H,2,16H2,1H3/t19-/m0/s1
InChIKeyJIPKBEPIDDJMDI-IBGZPJMESA-N
XLogP4.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide (CID 69088640) is N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide is CC[C@@H](CNc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide?
The InChIKey is JIPKBEPIDDJMDI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-2-19(27-31(29,30)22-6-4-3-5-7-22)16-25-20-10-13-23-17(14-20)15-26-28(23)21-11-8-18(24)9-12-21/h3-15,19,25,27H,2,16H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide?
N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 69088640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).