4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

C23H32N2O4S2 — CID 24563832

IUPAC4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-18(2)25-30(26,27)17-20-10-8-19(9-11-20)16-24-31(28,29)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h8-15,18,21,24-25H,3-7,16-17H2,1-2H3
InChIKeyRGCZAZRUGWBYSI-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.04
Rot. Bonds9

About 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 24563832) has the molecular formula C23H32N2O4S2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID24563832
Molecular FormulaC23H32N2O4S2
Molecular Weight464.65 g/mol
Exact Mass464.18
IUPAC Name4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-18(2)25-30(26,27)17-20-10-8-19(9-11-20)16-24-31(28,29)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h8-15,18,21,24-25H,3-7,16-17H2,1-2H3
InChIKeyRGCZAZRUGWBYSI-UHFFFAOYSA-N
XLogP4.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
CID 63731804
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
CID 33145606
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
N-(cyclohexen-1-ylmethyl)-4-cyclohexylbenzenesulfonamide
CID 25248828
2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904772
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 17416351
(2S)-2-[(4-cyclohexylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45290696
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (CID 24563832) is 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RGCZAZRUGWBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S2/c1-18(2)25-30(26,27)17-20-10-8-19(9-11-20)16-24-31(28,29)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h8-15,18,21,24-25H,3-7,16-17H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 464.65 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 24563832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).