N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C21H29NO4S — CID 22206221

IUPACN-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OCC
InChIInChI=1S/C21H29NO4S/c1-7-25-19-10-9-18(12-20(19)26-8-2)13-22-27(23,24)21-16(5)14(3)11-15(4)17(21)6/h9-12,22H,7-8,13H2,1-6H3
InChIKeyKRFUQEQGCDYXBX-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.20
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22206221) has the molecular formula C21H29NO4S and a molecular weight of 391.53 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22206221
Molecular FormulaC21H29NO4S
Molecular Weight391.53 g/mol
Exact Mass391.18
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OCC
InChIInChI=1S/C21H29NO4S/c1-7-25-19-10-9-18(12-20(19)26-8-2)13-22-27(23,24)21-16(5)14(3)11-15(4)17(21)6/h9-12,22H,7-8,13H2,1-6H3
InChIKeyKRFUQEQGCDYXBX-UHFFFAOYSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852335
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 60530891
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206214
2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 52616778

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22206221) is N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is KRFUQEQGCDYXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4S/c1-7-25-19-10-9-18(12-20(19)26-8-2)13-22-27(23,24)21-16(5)14(3)11-15(4)17(21)6/h9-12,22H,7-8,13H2,1-6H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 391.53 g/mol, XLogP of 4.20, 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]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22206221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).