N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide

C23H20FN3O4S — CID 42558724

IUPACN-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide
SMILESO=C1C[C@H](c2ccc(S(=O)(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)cc2)CN1
InChIInChI=1S/C23H20FN3O4S/c24-17-7-9-18(10-8-17)26-23(29)20-3-1-2-4-21(20)27-32(30,31)19-11-5-15(6-12-19)16-13-22(28)25-14-16/h1-12,16,27H,13-14H2,(H,25,28)(H,26,29)/t16-/m0/s1
InChIKeySNLUJZNQVVRRTI-INIZCTEOSA-N
MW453.50 g/mol
LogP3.48
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide

N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide (PubChem CID 42558724) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide
PubChem CID42558724
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide
SMILESO=C1C[C@H](c2ccc(S(=O)(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)cc2)CN1
InChIInChI=1S/C23H20FN3O4S/c24-17-7-9-18(10-8-17)26-23(29)20-3-1-2-4-21(20)27-32(30,31)19-11-5-15(6-12-19)16-13-22(28)25-14-16/h1-12,16,27H,13-14H2,(H,25,28)(H,26,29)/t16-/m0/s1
InChIKeySNLUJZNQVVRRTI-INIZCTEOSA-N
XLogP3.48
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
2-[(2-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 7941056

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide (CID 42558724) is N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide is O=C1C[C@H](c2ccc(S(=O)(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)cc2)CN1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide?
The InChIKey is SNLUJZNQVVRRTI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c24-17-7-9-18(10-8-17)26-23(29)20-3-1-2-4-21(20)27-32(30,31)19-11-5-15(6-12-19)16-13-22(28)25-14-16/h1-12,16,27H,13-14H2,(H,25,28)(H,26,29)/t16-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide?
N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide has a molecular weight of 453.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 42558724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).