2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide

C19H20FN5O3S — CID 56835059

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H20FN5O3S/c20-15-1-4-17(5-2-15)29(27,28)25-9-7-24(8-10-25)13-19(26)22-16-3-6-18-14(11-16)12-21-23-18/h1-6,11-12H,7-10,13H2,(H,21,23)(H,22,26)
InChIKeyBEPGPYPYXDEQLW-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide (PubChem CID 56835059) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide
PubChem CID56835059
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H20FN5O3S/c20-15-1-4-17(5-2-15)29(27,28)25-9-7-24(8-10-25)13-19(26)22-16-3-6-18-14(11-16)12-21-23-18/h1-6,11-12H,7-10,13H2,(H,21,23)(H,22,26)
InChIKeyBEPGPYPYXDEQLW-UHFFFAOYSA-N
XLogP1.65
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
N-(1-(4-fluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9858433
1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 22933424
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 53476532
2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67463278
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
2-pyridin-4-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 68229839
2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 101902997
2-phenyl-2-pyrrolidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 101902998
2-(dimethylamino)-2-(2-ethylphenyl)-N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)acetamide
CID 101903000
(S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-3-phenylpropan-1-one
CID 16662114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide (CID 56835059) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide?
The InChIKey is BEPGPYPYXDEQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-15-1-4-17(5-2-15)29(27,28)25-9-7-24(8-10-25)13-19(26)22-16-3-6-18-14(11-16)12-21-23-18/h1-6,11-12H,7-10,13H2,(H,21,23)(H,22,26).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide has a molecular weight of 417.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 56835059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).