2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C22H21ClFN3O4S — CID 2450838

IUPAC2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21ClFN3O4S/c23-20-8-3-16(14-21(20)32(29,30)25-15-19-2-1-13-31-19)22(28)27-11-9-26(10-12-27)18-6-4-17(24)5-7-18/h1-8,13-14,25H,9-12,15H2
InChIKeyDVGQIAHVCSNMBV-UHFFFAOYSA-N
MW477.95 g/mol
LogP3.51
Rot. Bonds6

About 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide

2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2450838) has the molecular formula C22H21ClFN3O4S and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2450838
Molecular FormulaC22H21ClFN3O4S
Molecular Weight477.95 g/mol
Exact Mass477.09
IUPAC Name2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21ClFN3O4S/c23-20-8-3-16(14-21(20)32(29,30)25-15-19-2-1-13-31-19)22(28)27-11-9-26(10-12-27)18-6-4-17(24)5-7-18/h1-8,13-14,25H,9-12,15H2
InChIKeyDVGQIAHVCSNMBV-UHFFFAOYSA-N
XLogP3.51
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2106784
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 4173516
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38853493
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
CID 109326797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2450838) is 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide is O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DVGQIAHVCSNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O4S/c23-20-8-3-16(14-21(20)32(29,30)25-15-19-2-1-13-31-19)22(28)27-11-9-26(10-12-27)18-6-4-17(24)5-7-18/h1-8,13-14,25H,9-12,15H2.
What are the key properties of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 477.95 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2450838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).