3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

C17H21NO4S — CID 51169554

IUPAC3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C17H21NO4S/c1-12-7-5-6-8-15(12)13(2)18-23(19,20)14-9-10-16(21-3)17(11-14)22-4/h5-11,13,18H,1-4H3
InChIKeyHUXQPMKXMBRJPR-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.05
Rot. Bonds6

About 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 51169554) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID51169554
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C17H21NO4S/c1-12-7-5-6-8-15(12)13(2)18-23(19,20)14-9-10-16(21-3)17(11-14)22-4/h5-11,13,18H,1-4H3
InChIKeyHUXQPMKXMBRJPR-UHFFFAOYSA-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

3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 51169554) is 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccccc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is HUXQPMKXMBRJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-7-5-6-8-15(12)13(2)18-23(19,20)14-9-10-16(21-3)17(11-14)22-4/h5-11,13,18H,1-4H3.
What are the key properties of 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[1-(2-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 3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51169554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).