(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide

C21H26FN5O2S — CID 166917309

IUPAC(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C[C@H]1C
InChIInChI=1S/C21H26FN5O2S/c1-3-10-24-30(28,29)26-12-11-25(15-16(26)2)20-8-9-21-17(13-20)14-23-27(21)19-6-4-18(22)5-7-19/h4-9,13-14,16,24H,3,10-12,15H2,1-2H3/t16-/m1/s1
InChIKeyAOIZWAWQBJPUEA-MRXNPFEDSA-N
MW431.54 g/mol
LogP2.92
Rot. Bonds6

About (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide

(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide (PubChem CID 166917309) has the molecular formula C21H26FN5O2S and a molecular weight of 431.54 g/mol. Its IUPAC name is (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide
PubChem CID166917309
Molecular FormulaC21H26FN5O2S
Molecular Weight431.54 g/mol
Exact Mass431.18
IUPAC Name(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C[C@H]1C
InChIInChI=1S/C21H26FN5O2S/c1-3-10-24-30(28,29)26-12-11-25(15-16(26)2)20-8-9-21-17(13-20)14-23-27(21)19-6-4-18(22)5-7-19/h4-9,13-14,16,24H,3,10-12,15H2,1-2H3/t16-/m1/s1
InChIKeyAOIZWAWQBJPUEA-MRXNPFEDSA-N
XLogP2.92
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide?
The IUPAC name of (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide (CID 166917309) is (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide is CCCNS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C[C@H]1C.
What is the InChIKey of (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide?
The InChIKey is AOIZWAWQBJPUEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN5O2S/c1-3-10-24-30(28,29)26-12-11-25(15-16(26)2)20-8-9-21-17(13-20)14-23-27(21)19-6-4-18(22)5-7-19/h4-9,13-14,16,24H,3,10-12,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide?
(2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide has a molecular weight of 431.54 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 166917309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).