N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide

C23H19F3N4O3S — CID 122179030

IUPACN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2cnn(CCc3ccc(F)cc3)c12
InChIInChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-19(34(32,33)29-21-7-6-18(25)11-20(21)26)10-16-13-27-30(23(16)22)9-8-15-2-4-17(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
InChIKeyRIONVTZBLRESAP-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.46
Rot. Bonds7

About N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide (PubChem CID 122179030) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
PubChem CID122179030
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2cnn(CCc3ccc(F)cc3)c12
InChIInChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-19(34(32,33)29-21-7-6-18(25)11-20(21)26)10-16-13-27-30(23(16)22)9-8-15-2-4-17(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
InChIKeyRIONVTZBLRESAP-UHFFFAOYSA-N
XLogP4.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
CID 122179029
N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide
CID 168679194
N-[2-({[(1-benzyl-1H-indazol-3-yl)methyl]amino}sulfonyl)-4-methylphenyl]acetamide
CID 53164172
N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]butan-2-yl]benzenesulfonamide
CID 69088640
N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 130192963
N-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-7-nitroindazole-5-sulfonamide
CID 140309895
7-amino-N-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)ethyl]indazole-5-sulfonamide
CID 140309914
6-[4-[(4-Acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide
CID 173117556
N-[4-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide
CID 22202068
N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide
CID 22204838
1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 26489728
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1H-indazol-7-yl)acetamide
CID 34198690

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide (CID 122179030) is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2cnn(CCc3ccc(F)cc3)c12.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide?
The InChIKey is RIONVTZBLRESAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-19(34(32,33)29-21-7-6-18(25)11-20(21)26)10-16-13-27-30(23(16)22)9-8-15-2-4-17(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31).
What are the key properties of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide?
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide has a molecular weight of 488.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide is sourced from PubChem (CID 122179030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).