5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C17H21NO4S — CID 110757861

IUPAC5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C17H21NO4S/c1-4-13-9-10-16(22-3)17(11-13)23(19,20)18-12-14-7-5-6-8-15(14)21-2/h5-11,18H,4,12H2,1-3H3
InChIKeyMBQKTZDSKJXTBN-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.74
Rot. Bonds7

About 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 110757861) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID110757861
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C17H21NO4S/c1-4-13-9-10-16(22-3)17(11-13)23(19,20)18-12-14-7-5-6-8-15(14)21-2/h5-11,18H,4,12H2,1-3H3
InChIKeyMBQKTZDSKJXTBN-UHFFFAOYSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 69337322
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 90613047
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 110757861) is 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MBQKTZDSKJXTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-4-13-9-10-16(22-3)17(11-13)23(19,20)18-12-14-7-5-6-8-15(14)21-2/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).