N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H21FN2O4S — CID 110291465

IUPACN-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-19(24,14-4-6-15(20)7-5-14)13-21-27(25,26)17-10-8-16(9-11-17)22-12-2-3-18(22)23/h4-11,21,24H,2-3,12-13H2,1H3
InChIKeyHKCDPOPVHVORRR-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110291465) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110291465
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-19(24,14-4-6-15(20)7-5-14)13-21-27(25,26)17-10-8-16(9-11-17)22-12-2-3-18(22)23/h4-11,21,24H,2-3,12-13H2,1H3
InChIKeyHKCDPOPVHVORRR-UHFFFAOYSA-N
XLogP2.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16673900
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 25469691
N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9180389
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 110291465) is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is HKCDPOPVHVORRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-19(24,14-4-6-15(20)7-5-14)13-21-27(25,26)17-10-8-16(9-11-17)22-12-2-3-18(22)23/h4-11,21,24H,2-3,12-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110291465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).