3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C22H22FN3O4S — CID 26590679

IUPAC3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H22FN3O4S/c23-20-8-1-2-9-21(20)25-10-12-26(13-11-25)22(27)17-5-3-7-19(15-17)31(28,29)24-16-18-6-4-14-30-18/h1-9,14-15,24H,10-13,16H2
InChIKeyHESSGCHLWZWNDY-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.86
Rot. Bonds6

About 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 26590679) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID26590679
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H22FN3O4S/c23-20-8-1-2-9-21(20)25-10-12-26(13-11-25)22(27)17-5-3-7-19(15-17)31(28,29)24-16-18-6-4-14-30-18/h1-9,14-15,24H,10-13,16H2
InChIKeyHESSGCHLWZWNDY-UHFFFAOYSA-N
XLogP2.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 99803055
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55480300
2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2106784
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 31307418
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27005566

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 26590679) is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HESSGCHLWZWNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c23-20-8-1-2-9-21(20)25-10-12-26(13-11-25)22(27)17-5-3-7-19(15-17)31(28,29)24-16-18-6-4-14-30-18/h1-9,14-15,24H,10-13,16H2.
What are the key properties of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 443.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 26590679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).