2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C22H19ClFN3O4S — CID 55714162

IUPAC2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H19ClFN3O4S/c23-20-9-8-18(32(29,30)27-11-1-2-12-27)13-19(20)22(28)26-16-5-10-21(25-14-16)31-17-6-3-15(24)4-7-17/h3-10,13-14H,1-2,11-12H2,(H,26,28)
InChIKeyBXLGYCWAWBEUIW-UHFFFAOYSA-N
MW475.93 g/mol
LogP4.70
Rot. Bonds6

About 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55714162) has the molecular formula C22H19ClFN3O4S and a molecular weight of 475.93 g/mol. Its IUPAC name is 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55714162
Molecular FormulaC22H19ClFN3O4S
Molecular Weight475.93 g/mol
Exact Mass475.08
IUPAC Name2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H19ClFN3O4S/c23-20-9-8-18(32(29,30)27-11-1-2-12-27)13-19(20)22(28)26-16-5-10-21(25-14-16)31-17-6-3-15(24)4-7-17/h3-10,13-14H,1-2,11-12H2,(H,26,28)
InChIKeyBXLGYCWAWBEUIW-UHFFFAOYSA-N
XLogP4.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
2-chloro-N-(4-cyclopentyloxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 46570003
(4-fluorophenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2339639
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55480384
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 50944725
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55714162) is 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BXLGYCWAWBEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O4S/c23-20-9-8-18(32(29,30)27-11-1-2-12-27)13-19(20)22(28)26-16-5-10-21(25-14-16)31-17-6-3-15(24)4-7-17/h3-10,13-14H,1-2,11-12H2,(H,26,28).
What are the key properties of 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 475.93 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55714162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).