N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide

C16H20N2O5S2 — CID 1292287

IUPACN-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)CC)cc2)cc1
InChIInChI=1S/C16H20N2O5S2/c1-3-24(19,20)17-13-5-9-15(10-6-13)23-16-11-7-14(8-12-16)18-25(21,22)4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyCNAKEAIKXFUDJJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.00
Rot. Bonds8

About N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide

N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide (PubChem CID 1292287) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
PubChem CID1292287
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC NameN-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)CC)cc2)cc1
InChIInChI=1S/C16H20N2O5S2/c1-3-24(19,20)17-13-5-9-15(10-6-13)23-16-11-7-14(8-12-16)18-25(21,22)4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyCNAKEAIKXFUDJJ-UHFFFAOYSA-N
XLogP3.00
TPSA101.57 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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
CID 174697656
CID 174697656
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
4-phenoxy-N-(propylsulfamoyl)aniline
CID 110425619
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
CID 1269047
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide (CID 1292287) is N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide?
The InChIKey is CNAKEAIKXFUDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-3-24(19,20)17-13-5-9-15(10-6-13)23-16-11-7-14(8-12-16)18-25(21,22)4-2/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide?
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide is sourced from PubChem (CID 1292287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).