4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide

C17H21NO3S — CID 112822931

IUPAC4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-11-16(12-14(2)17(13)21-3)22(19,20)18-10-9-15-7-5-4-6-8-15/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyNLYLXIVKQZEQDO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.83
Rot. Bonds6

About 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide

4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 112822931) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID112822931
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-11-16(12-14(2)17(13)21-3)22(19,20)18-10-9-15-7-5-4-6-8-15/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyNLYLXIVKQZEQDO-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3,5-dimethyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890547
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823042
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823083
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide (CID 112822931) is 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCCc2ccccc2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is NLYLXIVKQZEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-11-16(12-14(2)17(13)21-3)22(19,20)18-10-9-15-7-5-4-6-8-15/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 112822931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).