2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

C17H21NO3S — CID 40921810

IUPAC2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-12-10-16(21-4)17(11-13(12)2)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3/t14-/m1/s1
InChIKeyNAARWRPUTWWIJC-CQSZACIVSA-N
MW319.43 g/mol
LogP3.35
Rot. Bonds5

About 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 40921810) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID40921810
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-12-10-16(21-4)17(11-13(12)2)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3/t14-/m1/s1
InChIKeyNAARWRPUTWWIJC-CQSZACIVSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
2-methoxy-4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 42960706
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 40921810) is 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is NAARWRPUTWWIJC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-10-16(21-4)17(11-13(12)2)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3/t14-/m1/s1.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 40921810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).