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

C22H22N4O5S — CID 25489711

IUPACN-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1
InChIInChI=1S/C22H22N4O5S/c27-21(17-6-8-23-9-7-17)25-10-12-26(13-11-25)22(28)18-3-1-5-20(15-18)32(29,30)24-16-19-4-2-14-31-19/h1-9,14-15,24H,10-13,16H2
InChIKeyJHSVZTPBPNTXEF-UHFFFAOYSA-N
MW454.51 g/mol
LogP1.75
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 25489711) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID25489711
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC NameN-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1
InChIInChI=1S/C22H22N4O5S/c27-21(17-6-8-23-9-7-17)25-10-12-26(13-11-25)22(28)18-3-1-5-20(15-18)32(29,30)24-16-19-4-2-14-31-19/h1-9,14-15,24H,10-13,16H2
InChIKeyJHSVZTPBPNTXEF-UHFFFAOYSA-N
XLogP1.75
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 99803055
2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55480300
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide
CID 38719587
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 25489711) is N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1ccncc1)N1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is JHSVZTPBPNTXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c27-21(17-6-8-23-9-7-17)25-10-12-26(13-11-25)22(28)18-3-1-5-20(15-18)32(29,30)24-16-19-4-2-14-31-19/h1-9,14-15,24H,10-13,16H2.
What are the key properties of N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 25489711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).