4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide

C20H26N2O4S2 — CID 1429121

IUPAC4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H26N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)28(25,26)22-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21-22H,2,5-6,9-10,15-16H2
InChIKeyZVNDATNPABFFSJ-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.82
Rot. Bonds8

About 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide

4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide (PubChem CID 1429121) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
PubChem CID1429121
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H26N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)28(25,26)22-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21-22H,2,5-6,9-10,15-16H2
InChIKeyZVNDATNPABFFSJ-UHFFFAOYSA-N
XLogP2.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
5-(cycloheptylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983262
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide (CID 1429121) is 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide?
The InChIKey is ZVNDATNPABFFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)28(25,26)22-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21-22H,2,5-6,9-10,15-16H2.
What are the key properties of 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide?
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide has a molecular weight of 422.57 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 1429121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).