3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C23H25NO5S2 — CID 174546129

IUPAC3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCN(CCc1cccc(OC)c1)S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H25NO5S2/c1-3-24(16-15-19-9-7-10-20(17-19)29-2)31(27,28)23-14-8-13-22(18-23)30(25,26)21-11-5-4-6-12-21/h4-14,17-18H,3,15-16H2,1-2H3
InChIKeyDEVSLYHDTZNICQ-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.78
Rot. Bonds9

About 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 174546129) has the molecular formula C23H25NO5S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID174546129
Molecular FormulaC23H25NO5S2
Molecular Weight459.59 g/mol
Exact Mass459.12
IUPAC Name3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCN(CCc1cccc(OC)c1)S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H25NO5S2/c1-3-24(16-15-19-9-7-10-20(17-19)29-2)31(27,28)23-14-8-13-22(18-23)30(25,26)21-11-5-4-6-12-21/h4-14,17-18H,3,15-16H2,1-2H3
InChIKeyDEVSLYHDTZNICQ-UHFFFAOYSA-N
XLogP3.78
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 174560677
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
3-(benzenesulfonyl)-N-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 87701025
1-methoxy-3-(4-propylphenyl)sulfonylbenzene
CID 178027027
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 174546129) is 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is CCN(CCc1cccc(OC)c1)S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is DEVSLYHDTZNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S2/c1-3-24(16-15-19-9-7-10-20(17-19)29-2)31(27,28)23-14-8-13-22(18-23)30(25,26)21-11-5-4-6-12-21/h4-14,17-18H,3,15-16H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 459.59 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 174546129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).