4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide

C17H21NO3S — CID 87032847

IUPAC4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-21-16-9-11-17(12-10-16)22(19,20)18(2)14-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3
InChIKeyRYOHQMHEGCEWRS-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.95
Rot. Bonds7

About 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide

4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 87032847) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID87032847
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-21-16-9-11-17(12-10-16)22(19,20)18(2)14-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3
InChIKeyRYOHQMHEGCEWRS-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353522
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753644
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
N-(benzenesulfonyl)-N-[(4-ethoxyphenyl)sulfanylmethyl]benzenesulfonamide
CID 132509355
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
CID 141141198
methyl 4-[(4-ethoxyphenyl)sulfonyl-methylamino]butanoate
CID 60715335
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 87032847) is 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is RYOHQMHEGCEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-21-16-9-11-17(12-10-16)22(19,20)18(2)14-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 87032847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).