4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C23H22FN3O5S — CID 55763825

IUPAC4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-31-17-7-9-18(10-8-17)32-23-20(5-4-12-25-23)26-22(28)16-6-11-19(24)21(15-16)33(29,30)27-13-2-3-14-27/h4-12,15H,2-3,13-14H2,1H3,(H,26,28)
InChIKeyLARDZPRCWHQPRY-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.06
Rot. Bonds7

About 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55763825) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55763825
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-31-17-7-9-18(10-8-17)32-23-20(5-4-12-25-23)26-22(28)16-6-11-19(24)21(15-16)33(29,30)27-13-2-3-14-27/h4-12,15H,2-3,13-14H2,1H3,(H,26,28)
InChIKeyLARDZPRCWHQPRY-UHFFFAOYSA-N
XLogP4.06
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665163
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55663053
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55661313
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 30757530
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26864762
4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25342034
4-fluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 42924351

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55763825) is 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(Oc2ncccc2NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LARDZPRCWHQPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c1-31-17-7-9-18(10-8-17)32-23-20(5-4-12-25-23)26-22(28)16-6-11-19(24)21(15-16)33(29,30)27-13-2-3-14-27/h4-12,15H,2-3,13-14H2,1H3,(H,26,28).
What are the key properties of 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 471.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55763825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).