6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C23H22FN3O5S — CID 95089121

IUPAC6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C23H22FN3O5S/c24-17-4-10-21(11-5-17)33(29,30)27-18-6-8-19(9-7-18)32-22-12-3-16(14-25-22)23(28)26-15-20-2-1-13-31-20/h3-12,14,20,27H,1-2,13,15H2,(H,26,28)/t20-/m0/s1
InChIKeyYZRQPNVEROECJZ-FQEVSTJZSA-N
MW471.51 g/mol
LogP3.72
Rot. Bonds8

About 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95089121) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95089121
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C23H22FN3O5S/c24-17-4-10-21(11-5-17)33(29,30)27-18-6-8-19(9-7-18)32-22-12-3-16(14-25-22)23(28)26-15-20-2-1-13-31-20/h3-12,14,20,27H,1-2,13,15H2,(H,26,28)/t20-/m0/s1
InChIKeyYZRQPNVEROECJZ-FQEVSTJZSA-N
XLogP3.72
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
6-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]sulfanyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46388064
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95089121) is 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is YZRQPNVEROECJZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c24-17-4-10-21(11-5-17)33(29,30)27-18-6-8-19(9-7-18)32-22-12-3-16(14-25-22)23(28)26-15-20-2-1-13-31-20/h3-12,14,20,27H,1-2,13,15H2,(H,26,28)/t20-/m0/s1.
What are the key properties of 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95089121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).