4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

C17H21NO5S2 — CID 55915922

IUPAC4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO5S2/c1-3-24(19,20)16-8-10-17(11-9-16)25(21,22)18-13-12-14-4-6-15(23-2)7-5-14/h4-11,18H,3,12-13H2,1-2H3
InChIKeyQXCCHZNKBRUJJM-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.01
Rot. Bonds8

About 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 55915922) has the molecular formula C17H21NO5S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID55915922
Molecular FormulaC17H21NO5S2
Molecular Weight383.49 g/mol
Exact Mass383.09
IUPAC Name4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO5S2/c1-3-24(19,20)16-8-10-17(11-9-16)25(21,22)18-13-12-14-4-6-15(23-2)7-5-14/h4-11,18H,3,12-13H2,1-2H3
InChIKeyQXCCHZNKBRUJJM-UHFFFAOYSA-N
XLogP2.01
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790721
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 55915922) is 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is CCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is QXCCHZNKBRUJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S2/c1-3-24(19,20)16-8-10-17(11-9-16)25(21,22)18-13-12-14-4-6-15(23-2)7-5-14/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).