N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide

C19H25NO4S — CID 22206204

IUPACN-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C19H25NO4S/c1-5-23-18-10-8-16(12-19(18)24-6-2)13-20-25(21,22)17-9-7-14(3)15(4)11-17/h7-12,20H,5-6,13H2,1-4H3
InChIKeyDUPCPQFMMJHRKL-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.58
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 22206204) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID22206204
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C19H25NO4S/c1-5-23-18-10-8-16(12-19(18)24-6-2)13-20-25(21,22)17-9-7-14(3)15(4)11-17/h7-12,20H,5-6,13H2,1-4H3
InChIKeyDUPCPQFMMJHRKL-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide (CID 22206204) is N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is DUPCPQFMMJHRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-23-18-10-8-16(12-19(18)24-6-2)13-20-25(21,22)17-9-7-14(3)15(4)11-17/h7-12,20H,5-6,13H2,1-4H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22206204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).