N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide

C16H18FNO4S — CID 99705186

IUPACN-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H18FNO4S/c1-4-22-13-7-5-12(6-8-13)18(2)23(19,20)14-9-10-16(21-3)15(17)11-14/h5-11H,4H2,1-3H3
InChIKeySOWYHRWRHGOZBL-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.06
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide

N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 99705186) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
PubChem CID99705186
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H18FNO4S/c1-4-22-13-7-5-12(6-8-13)18(2)23(19,20)14-9-10-16(21-3)15(17)11-14/h5-11H,4H2,1-3H3
InChIKeySOWYHRWRHGOZBL-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-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
3-fluoro-N,4-dimethyl-N-(4-prop-2-ynoxyphenyl)benzenesulfonamide
CID 86900068
N-(4-ethoxyphenyl)-N-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46341343
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide (CID 99705186) is N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide is CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is SOWYHRWRHGOZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-4-22-13-7-5-12(6-8-13)18(2)23(19,20)14-9-10-16(21-3)15(17)11-14/h5-11H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide 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-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 99705186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).