N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide

C27H23FN4O3S — CID 90910282

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C27H23FN4O3S/c28-22-8-10-24(11-9-22)32-27-13-12-25(16-21(27)17-30-32)35-19-23(15-20-5-2-1-3-6-20)31-36(33,34)26-7-4-14-29-18-26/h1-14,16-18,23,31H,15,19H2
InChIKeyNWUHFNDNRWOIFX-UHFFFAOYSA-N
MW502.57 g/mol
LogP4.53
Rot. Bonds9

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide (PubChem CID 90910282) has the molecular formula C27H23FN4O3S and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide
PubChem CID90910282
Molecular FormulaC27H23FN4O3S
Molecular Weight502.57 g/mol
Exact Mass502.15
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C27H23FN4O3S/c28-22-8-10-24(11-9-22)32-27-13-12-25(16-21(27)17-30-32)35-19-23(15-20-5-2-1-3-6-20)31-36(33,34)26-7-4-14-29-18-26/h1-14,16-18,23,31H,15,19H2
InChIKeyNWUHFNDNRWOIFX-UHFFFAOYSA-N
XLogP4.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide (CID 90910282) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide is O=S(=O)(NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1)c1cccnc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is NWUHFNDNRWOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3S/c28-22-8-10-24(11-9-22)32-27-13-12-25(16-21(27)17-30-32)35-19-23(15-20-5-2-1-3-6-20)31-36(33,34)26-7-4-14-29-18-26/h1-14,16-18,23,31H,15,19H2.
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 502.57 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 90910282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).