N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide

C16H18FNO4S — CID 60534153

IUPACN-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H18FNO4S/c1-4-18(13-7-5-6-12(17)10-13)23(19,20)16-11-14(21-2)8-9-15(16)22-3/h5-11H,4H2,1-3H3
InChIKeyQGYHWCWWKGEFMC-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide

N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 60534153) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID60534153
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H18FNO4S/c1-4-18(13-7-5-6-12(17)10-13)23(19,20)16-11-14(21-2)8-9-15(16)22-3/h5-11H,4H2,1-3H3
InChIKeyQGYHWCWWKGEFMC-UHFFFAOYSA-N
XLogP3.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
3-chloro-N-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023259
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
CID 136561863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide (CID 60534153) is N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide is CCN(c1cccc(F)c1)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is QGYHWCWWKGEFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-4-18(13-7-5-6-12(17)10-13)23(19,20)16-11-14(21-2)8-9-15(16)22-3/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 60534153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).