N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

C20H20ClNO5S — CID 18285388

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCOc2cccc(Cl)c2)Cc2ccco2)cc1
InChIInChI=1S/C20H20ClNO5S/c1-25-17-7-9-20(10-8-17)28(23,24)22(15-19-6-3-12-26-19)11-13-27-18-5-2-4-16(21)14-18/h2-10,12,14H,11,13,15H2,1H3
InChIKeyMRZQAOBYTHEQHH-UHFFFAOYSA-N
MW421.90 g/mol
LogP4.21
Rot. Bonds9

About N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 18285388) has the molecular formula C20H20ClNO5S and a molecular weight of 421.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID18285388
Molecular FormulaC20H20ClNO5S
Molecular Weight421.90 g/mol
Exact Mass421.08
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCOc2cccc(Cl)c2)Cc2ccco2)cc1
InChIInChI=1S/C20H20ClNO5S/c1-25-17-7-9-20(10-8-17)28(23,24)22(15-19-6-3-12-26-19)11-13-27-18-5-2-4-16(21)14-18/h2-10,12,14H,11,13,15H2,1H3
InChIKeyMRZQAOBYTHEQHH-UHFFFAOYSA-N
XLogP4.21
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 23857762
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
4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 3552331
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (CID 18285388) is N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCOc2cccc(Cl)c2)Cc2ccco2)cc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is MRZQAOBYTHEQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5S/c1-25-17-7-9-20(10-8-17)28(23,24)22(15-19-6-3-12-26-19)11-13-27-18-5-2-4-16(21)14-18/h2-10,12,14H,11,13,15H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 421.90 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 18285388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).