1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide

C21H25N3O5S2 — CID 648165

IUPAC1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C21H25N3O5S2/c1-3-23(4-2)30(25,26)20-10-12-21(13-11-20)31(27,28)24(17-19-9-7-15-29-19)16-18-8-5-6-14-22-18/h5-15H,3-4,16-17H2,1-2H3
InChIKeyFZUQPZQXWWKKFW-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.10
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide

1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide (PubChem CID 648165) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
PubChem CID648165
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC Name1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C21H25N3O5S2/c1-3-23(4-2)30(25,26)20-10-12-21(13-11-20)31(27,28)24(17-19-9-7-15-29-19)16-18-8-5-6-14-22-18/h5-15H,3-4,16-17H2,1-2H3
InChIKeyFZUQPZQXWWKKFW-UHFFFAOYSA-N
XLogP3.10
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide with MolForge

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Related Compounds

[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 2496383
N-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]furan-2-carboxamide
CID 2526980
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 744557
Ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 20969589
methyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515651
ethyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515745
Furan-2-carboxylic acid {4-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-amide
CID 651836
Benzene-1,4-disulfonic acid 1-benzylamide 4-(furan-2-ylmethyl-pyridin-2-ylmethyl-amide)
CID 655016
Benzene-1,4-disulfonic acid 1-(benzyl-ethyl-amide) 4-(furan-2-ylmethyl-pyridin-2-ylmethyl-amide)
CID 1168576
N-(4-{[(2-furylmethyl)amino]sulfonyl}phenyl)isonicotinamide
CID 2491306
N-Ethyl-N-(4-methoxyphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16017861
N-(4-ethoxyphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 17416116

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide (CID 648165) is 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The InChIKey is FZUQPZQXWWKKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-3-23(4-2)30(25,26)20-10-12-21(13-11-20)31(27,28)24(17-19-9-7-15-29-19)16-18-8-5-6-14-22-18/h5-15H,3-4,16-17H2,1-2H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide has a molecular weight of 463.58 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 648165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).