N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide

C22H23NO4S — CID 169372191

IUPACN-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H23NO4S/c1-3-26-20-9-11-21(12-10-20)27-16-18-5-4-6-19(15-18)23-28(24,25)22-13-7-17(2)8-14-22/h4-15,23H,3,16H2,1-2H3
InChIKeyKKNUPHRHQMEPCN-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.77
Rot. Bonds8

About N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide

N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169372191) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID169372191
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H23NO4S/c1-3-26-20-9-11-21(12-10-20)27-16-18-5-4-6-19(15-18)23-28(24,25)22-13-7-17(2)8-14-22/h4-15,23H,3,16H2,1-2H3
InChIKeyKKNUPHRHQMEPCN-UHFFFAOYSA-N
XLogP4.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide (CID 169372191) is N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide is CCOc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KKNUPHRHQMEPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-3-26-20-9-11-21(12-10-20)27-16-18-5-4-6-19(15-18)23-28(24,25)22-13-7-17(2)8-14-22/h4-15,23H,3,16H2,1-2H3.
What are the key properties of N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide?
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).