N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

C21H22FNO5S — CID 39877190

IUPACN-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1C
InChIInChI=1S/C21H22FNO5S/c1-16-14-20(9-10-21(16)28-13-12-26-2)29(24,25)23(15-19-4-3-11-27-19)18-7-5-17(22)6-8-18/h3-11,14H,12-13,15H2,1-2H3
InChIKeyQFMVTFIFBVZJOI-UHFFFAOYSA-N
MW419.47 g/mol
LogP4.15
Rot. Bonds9

About N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (PubChem CID 39877190) has the molecular formula C21H22FNO5S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
PubChem CID39877190
Molecular FormulaC21H22FNO5S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC NameN-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1C
InChIInChI=1S/C21H22FNO5S/c1-16-14-20(9-10-21(16)28-13-12-26-2)29(24,25)23(15-19-4-3-11-27-19)18-7-5-17(22)6-8-18/h3-11,14H,12-13,15H2,1-2H3
InChIKeyQFMVTFIFBVZJOI-UHFFFAOYSA-N
XLogP4.15
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 39877116
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55676585
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 51307345
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 1318703
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (CID 39877190) is N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The InChIKey is QFMVTFIFBVZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5S/c1-16-14-20(9-10-21(16)28-13-12-26-2)29(24,25)23(15-19-4-3-11-27-19)18-7-5-17(22)6-8-18/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide has a molecular weight of 419.47 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 39877190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).