N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide

C22H23NO4S — CID 166311152

IUPACN-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H23NO4S/c1-4-17-5-7-18(8-6-17)23(2)28(24,25)22-15-13-21(14-16-22)27-20-11-9-19(26-3)10-12-20/h5-16H,4H2,1-3H3
InChIKeyZVWYYGAQIHFOCU-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.88
Rot. Bonds7

About N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide

N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide (PubChem CID 166311152) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
PubChem CID166311152
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H23NO4S/c1-4-17-5-7-18(8-6-17)23(2)28(24,25)22-15-13-21(14-16-22)27-20-11-9-19(26-3)10-12-20/h5-16H,4H2,1-3H3
InChIKeyZVWYYGAQIHFOCU-UHFFFAOYSA-N
XLogP4.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide (CID 166311152) is N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide is CCc1ccc(N(C)S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is ZVWYYGAQIHFOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-4-17-5-7-18(8-6-17)23(2)28(24,25)22-15-13-21(14-16-22)27-20-11-9-19(26-3)10-12-20/h5-16H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 166311152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).