N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide

C19H24F2N2O3S — CID 55697946

IUPACN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide
SMILESCCN(CC)CCOc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H24F2N2O3S/c1-3-23(4-2)11-12-26-17-8-5-15(6-9-17)14-22-27(24,25)19-13-16(20)7-10-18(19)21/h5-10,13,22H,3-4,11-12,14H2,1-2H3
InChIKeyCKTCPCJFTKIVFP-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.16
Rot. Bonds10

About N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide

N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide (PubChem CID 55697946) has the molecular formula C19H24F2N2O3S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide
PubChem CID55697946
Molecular FormulaC19H24F2N2O3S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide
SMILESCCN(CC)CCOc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H24F2N2O3S/c1-3-23(4-2)11-12-26-17-8-5-15(6-9-17)14-22-27(24,25)19-13-16(20)7-10-18(19)21/h5-10,13,22H,3-4,11-12,14H2,1-2H3
InChIKeyCKTCPCJFTKIVFP-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 52598273
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
methyl 2-bromo-5-[[4-[2-(diethylamino)ethoxy]phenyl]methylsulfamoyl]benzoate
CID 55922068
3-[(4-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160178
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078
2-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 60530864
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide (CID 55697946) is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide is CCN(CC)CCOc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is CKTCPCJFTKIVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3S/c1-3-23(4-2)11-12-26-17-8-5-15(6-9-17)14-22-27(24,25)19-13-16(20)7-10-18(19)21/h5-10,13,22H,3-4,11-12,14H2,1-2H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide?
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 55697946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).