4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide

C28H28N2O5S2 — CID 25047818

IUPAC4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H28N2O5S2/c1-3-21-5-17-27(18-6-21)36(31,32)29-23-9-13-25(14-10-23)35-26-15-11-24(12-16-26)30-37(33,34)28-19-7-22(4-2)8-20-28/h5-20,29-30H,3-4H2,1-2H3
InChIKeyHUIRJZLPBJIVIU-UHFFFAOYSA-N
MW536.68 g/mol
LogP6.21
Rot. Bonds10

About 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide

4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide (PubChem CID 25047818) has the molecular formula C28H28N2O5S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
PubChem CID25047818
Molecular FormulaC28H28N2O5S2
Molecular Weight536.68 g/mol
Exact Mass536.14
IUPAC Name4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H28N2O5S2/c1-3-21-5-17-27(18-6-21)36(31,32)29-23-9-13-25(14-10-23)35-26-15-11-24(12-16-26)30-37(33,34)28-19-7-22(4-2)8-20-28/h5-20,29-30H,3-4H2,1-2H3
InChIKeyHUIRJZLPBJIVIU-UHFFFAOYSA-N
XLogP6.21
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide (CID 25047818) is 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
The InChIKey is HUIRJZLPBJIVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5S2/c1-3-21-5-17-27(18-6-21)36(31,32)29-23-9-13-25(14-10-23)35-26-15-11-24(12-16-26)30-37(33,34)28-19-7-22(4-2)8-20-28/h5-20,29-30H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide has a molecular weight of 536.68 g/mol, XLogP of 6.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 25047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).