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

C24H23N3O5S2 — CID 655016

IUPAC1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C24H23N3O5S2/c28-33(29,26-17-20-7-2-1-3-8-20)23-11-13-24(14-12-23)34(30,31)27(19-22-10-6-16-32-22)18-21-9-4-5-15-25-21/h1-16,26H,17-19H2
InChIKeySESUZIJWVVGBEU-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.54
Rot. Bonds10

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

1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide (PubChem CID 655016) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
PubChem CID655016
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC Name1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C24H23N3O5S2/c28-33(29,26-17-20-7-2-1-3-8-20)23-11-13-24(14-12-23)34(30,31)27(19-22-10-6-16-32-22)18-21-9-4-5-15-25-21/h1-16,26H,17-19H2
InChIKeySESUZIJWVVGBEU-UHFFFAOYSA-N
XLogP3.54
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084753
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084763
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084747
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826139
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 52906802

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The IUPAC name of 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide (CID 655016) is 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The InChIKey is SESUZIJWVVGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c28-33(29,26-17-20-7-2-1-3-8-20)23-11-13-24(14-12-23)34(30,31)27(19-22-10-6-16-32-22)18-21-9-4-5-15-25-21/h1-16,26H,17-19H2.
What are the key properties of 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide has a molecular weight of 497.60 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 655016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).