3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C18H23NO5S — CID 9186891

IUPAC3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1OCC
InChIInChI=1S/C18H23NO5S/c1-4-23-17-11-10-15(12-18(17)24-5-2)25(20,21)19-13-14-8-6-7-9-16(14)22-3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyJTAYCPQPPLRCKI-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.97
Rot. Bonds9

About 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 9186891) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID9186891
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1OCC
InChIInChI=1S/C18H23NO5S/c1-4-23-17-11-10-15(12-18(17)24-5-2)25(20,21)19-13-14-8-6-7-9-16(14)22-3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyJTAYCPQPPLRCKI-UHFFFAOYSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53281595
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 9186891) is 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is JTAYCPQPPLRCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-4-23-17-11-10-15(12-18(17)24-5-2)25(20,21)19-13-14-8-6-7-9-16(14)22-3/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 9186891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).