5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide

C20H26N2O4S2 — CID 8519759

IUPAC5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1C
InChIInChI=1S/C20H26N2O4S2/c1-15-8-11-18(14-20(15)28(25,26)21-2)22-27(23,24)19-12-9-17(10-13-19)16-6-4-3-5-7-16/h8-14,16,21-22H,3-7H2,1-2H3
InChIKeyUREGFMHZOWTBJW-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.75
Rot. Bonds6

About 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide

5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 8519759) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID8519759
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1C
InChIInChI=1S/C20H26N2O4S2/c1-15-8-11-18(14-20(15)28(25,26)21-2)22-27(23,24)19-12-9-17(10-13-19)16-6-4-3-5-7-16/h8-14,16,21-22H,3-7H2,1-2H3
InChIKeyUREGFMHZOWTBJW-UHFFFAOYSA-N
XLogP3.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
CID 95781125
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 46378340
5-(chloromethylsulfonylamino)-N,2-dimethylbenzenesulfonamide
CID 63664896
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide (CID 8519759) is 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1C.
What is the InChIKey of 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is UREGFMHZOWTBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-15-8-11-18(14-20(15)28(25,26)21-2)22-27(23,24)19-12-9-17(10-13-19)16-6-4-3-5-7-16/h8-14,16,21-22H,3-7H2,1-2H3.
What are the key properties of 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 422.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 8519759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).