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N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C23H22FN3O4S — CID 53117616

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H22FN3O4S/c24-16-10-12-20(13-11-16)32(29,30)27-18-7-3-8-19(15-18)31-23-21(9-4-14-25-23)22(28)26-17-5-1-2-6-17/h3-4,7-15,17,27H,1-2,5-6H2,(H,26,28)
InChIKeyHYMKYUXETGYHEK-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.49
Rot. Bonds7

About N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 53117616) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID53117616
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H22FN3O4S/c24-16-10-12-20(13-11-16)32(29,30)27-18-7-3-8-19(15-18)31-23-21(9-4-14-25-23)22(28)26-17-5-1-2-6-17/h3-4,7-15,17,27H,1-2,5-6H2,(H,26,28)
InChIKeyHYMKYUXETGYHEK-UHFFFAOYSA-N
XLogP4.49
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 53117616) is N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is O=C(NC1CCCC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is HYMKYUXETGYHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-16-10-12-20(13-11-16)32(29,30)27-18-7-3-8-19(15-18)31-23-21(9-4-14-25-23)22(28)26-17-5-1-2-6-17/h3-4,7-15,17,27H,1-2,5-6H2,(H,26,28).
What are the key properties of N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53117616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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