2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide

C17H21NO4S — CID 40638726

IUPAC2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO4S/c1-12-5-7-14(8-6-12)13(2)18-23(19,20)17-11-15(21-3)9-10-16(17)22-4/h5-11,13,18H,1-4H3/t13-/m1/s1
InChIKeyAETQZMFIFSDPAE-CYBMUJFWSA-N
MW335.43 g/mol
LogP3.05
Rot. Bonds6

About 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 40638726) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID40638726
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO4S/c1-12-5-7-14(8-6-12)13(2)18-23(19,20)17-11-15(21-3)9-10-16(17)22-4/h5-11,13,18H,1-4H3/t13-/m1/s1
InChIKeyAETQZMFIFSDPAE-CYBMUJFWSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-ethyl-4-methoxy-3-[1-(4-methoxyphenyl)ethylsulfamoyl]benzamide
CID 133239571

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 40638726) is 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is AETQZMFIFSDPAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-5-7-14(8-6-12)13(2)18-23(19,20)17-11-15(21-3)9-10-16(17)22-4/h5-11,13,18H,1-4H3/t13-/m1/s1.
What are the key properties of 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 40638726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).