4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide

C17H21NO4S — CID 110758856

IUPAC4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C17H21NO4S/c1-13-11-15(21-2)16(22-3)12-17(13)23(19,20)18-10-9-14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyFTHLJKKWAONNRE-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.53
Rot. Bonds7

About 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide

4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 110758856) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID110758856
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C17H21NO4S/c1-13-11-15(21-2)16(22-3)12-17(13)23(19,20)18-10-9-14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyFTHLJKKWAONNRE-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 110758856) is 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is FTHLJKKWAONNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-11-15(21-2)16(22-3)12-17(13)23(19,20)18-10-9-14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide?
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 110758856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).