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

C18H23NO4S — CID 30788428

IUPAC3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1OCC
InChIInChI=1S/C18H23NO4S/c1-4-22-17-10-9-16(12-18(17)23-5-2)24(20,21)19-13-15-8-6-7-14(3)11-15/h6-12,19H,4-5,13H2,1-3H3
InChIKeyJCJFFSHBTMFXGF-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.27
Rot. Bonds8

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

3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 30788428) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID30788428
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1OCC
InChIInChI=1S/C18H23NO4S/c1-4-22-17-10-9-16(12-18(17)23-5-2)24(20,21)19-13-15-8-6-7-14(3)11-15/h6-12,19H,4-5,13H2,1-3H3
InChIKeyJCJFFSHBTMFXGF-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 30788428) is 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is JCJFFSHBTMFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-22-17-10-9-16(12-18(17)23-5-2)24(20,21)19-13-15-8-6-7-14(3)11-15/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30788428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).