N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide

C20H18FNO4S — CID 169371317

IUPACN-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2F)cc1
InChIInChI=1S/C20H18FNO4S/c1-14-3-10-18(11-4-14)27(23,24)22-15-5-12-20(19(21)13-15)26-17-8-6-16(25-2)7-9-17/h3-13,22H,1-2H3
InChIKeyZJMMENHJUZSVEH-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.74
Rot. Bonds6

About N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide

N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371317) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371317
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2F)cc1
InChIInChI=1S/C20H18FNO4S/c1-14-3-10-18(11-4-14)27(23,24)22-15-5-12-20(19(21)13-15)26-17-8-6-16(25-2)7-9-17/h3-13,22H,1-2H3
InChIKeyZJMMENHJUZSVEH-UHFFFAOYSA-N
XLogP4.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide
CID 24621918
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373112
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371020

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide (CID 169371317) is N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide is COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2F)cc1.
What is the InChIKey of N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZJMMENHJUZSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-14-3-10-18(11-4-14)27(23,24)22-15-5-12-20(19(21)13-15)26-17-8-6-16(25-2)7-9-17/h3-13,22H,1-2H3.
What are the key properties of N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide?
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).