4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

C22H31NO5S — CID 9190964

IUPAC4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC
InChIInChI=1S/C22H31NO5S/c1-14-9-17(22(3,4)5)10-15(2)21(14)29(24,25)23-13-16-11-18(26-6)20(28-8)19(12-16)27-7/h9-12,23H,13H2,1-8H3
InChIKeyFJCZHUHKSUVBPV-UHFFFAOYSA-N
MW421.56 g/mol
LogP4.11
Rot. Bonds7

About 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 9190964) has the molecular formula C22H31NO5S and a molecular weight of 421.56 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID9190964
Molecular FormulaC22H31NO5S
Molecular Weight421.56 g/mol
Exact Mass421.19
IUPAC Name4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC
InChIInChI=1S/C22H31NO5S/c1-14-9-17(22(3,4)5)10-15(2)21(14)29(24,25)23-13-16-11-18(26-6)20(28-8)19(12-16)27-7/h9-12,23H,13H2,1-8H3
InChIKeyFJCZHUHKSUVBPV-UHFFFAOYSA-N
XLogP4.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
N-[(3,5-dimethoxyphenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 5014375
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide
CID 70938746
4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973128
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (CID 9190964) is 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is FJCZHUHKSUVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO5S/c1-14-9-17(22(3,4)5)10-15(2)21(14)29(24,25)23-13-16-11-18(26-6)20(28-8)19(12-16)27-7/h9-12,23H,13H2,1-8H3.
What are the key properties of 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 421.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 9190964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).