4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide

C16H20N2O5S2 — CID 2442104

IUPAC4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H20N2O5S2/c1-2-23-14-5-9-16(10-6-14)25(21,22)18-12-11-13-3-7-15(8-4-13)24(17,19)20/h3-10,18H,2,11-12H2,1H3,(H2,17,19,20)
InChIKeyPKSPBVZLKNJUOQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.25
Rot. Bonds8

About 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide

4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 2442104) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID2442104
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC Name4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H20N2O5S2/c1-2-23-14-5-9-16(10-6-14)25(21,22)18-12-11-13-3-7-15(8-4-13)24(17,19)20/h3-10,18H,2,11-12H2,1H3,(H2,17,19,20)
InChIKeyPKSPBVZLKNJUOQ-UHFFFAOYSA-N
XLogP1.25
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 4686096
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 2442104) is 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is PKSPBVZLKNJUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-2-23-14-5-9-16(10-6-14)25(21,22)18-12-11-13-3-7-15(8-4-13)24(17,19)20/h3-10,18H,2,11-12H2,1H3,(H2,17,19,20).
What are the key properties of 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide?
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2442104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).