N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide

C21H24N4O3S — CID 42857846

IUPACN-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccoc4)CC3)nc2)c1
InChIInChI=1S/C21H24N4O3S/c1-17-3-2-4-20(13-17)29(26,27)23-19-5-6-21(22-14-19)25-10-8-24(9-11-25)15-18-7-12-28-16-18/h2-7,12-14,16,23H,8-11,15H2,1H3
InChIKeyALWSGKGUFPBENG-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.11
Rot. Bonds6

About N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide

N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 42857846) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID42857846
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccoc4)CC3)nc2)c1
InChIInChI=1S/C21H24N4O3S/c1-17-3-2-4-20(13-17)29(26,27)23-19-5-6-21(22-14-19)25-10-8-24(9-11-25)15-18-7-12-28-16-18/h2-7,12-14,16,23H,8-11,15H2,1H3
InChIKeyALWSGKGUFPBENG-UHFFFAOYSA-N
XLogP3.11
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011100
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 42850219
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 42857549
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46054016
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide (CID 42857846) is N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccoc4)CC3)nc2)c1.
What is the InChIKey of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is ALWSGKGUFPBENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-17-3-2-4-20(13-17)29(26,27)23-19-5-6-21(22-14-19)25-10-8-24(9-11-25)15-18-7-12-28-16-18/h2-7,12-14,16,23H,8-11,15H2,1H3.
What are the key properties of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide?
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 42857846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).