N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

C19H19NO4S — CID 1058767

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C19H19NO4S/c1-23-17-9-11-19(12-10-17)25(21,22)20(15-18-8-5-13-24-18)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyZNBZHLTWWPHGRM-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 1058767) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID1058767
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C19H19NO4S/c1-23-17-9-11-19(12-10-17)25(21,22)20(15-18-8-5-13-24-18)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyZNBZHLTWWPHGRM-UHFFFAOYSA-N
XLogP3.68
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 158552337
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 23857762
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18285388
[3-[[furan-2-ylmethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate
CID 4137449
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (CID 1058767) is N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is ZNBZHLTWWPHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-23-17-9-11-19(12-10-17)25(21,22)20(15-18-8-5-13-24-18)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1058767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).