N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide

C16H18FNO4S — CID 17442526

IUPACN-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H18FNO4S/c1-4-18(13-7-5-12(17)6-8-13)23(19,20)14-9-10-15(21-2)16(11-14)22-3/h5-11H,4H2,1-3H3
InChIKeyPVJFPJNROKXGHT-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide

N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 17442526) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID17442526
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H18FNO4S/c1-4-18(13-7-5-12(17)6-8-13)23(19,20)14-9-10-15(21-2)16(11-14)22-3/h5-11H,4H2,1-3H3
InChIKeyPVJFPJNROKXGHT-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-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 126277699
N-(4-chlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126143002
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244396
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92673156
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94012475
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (CID 17442526) is N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is PVJFPJNROKXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-4-18(13-7-5-12(17)6-8-13)23(19,20)14-9-10-15(21-2)16(11-14)22-3/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
N-ethyl-N-(4-fluorophenyl)-3,4-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-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 17442526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).